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255
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7.6995
6.0066
2.866
2
5.4641
6.4103
6.9939
5.4641
6.4103
7.9939
4.5981
4.5981
6.721
3.732
3.732
6.0531
8.4939
8.4939
6.3638
5.0746
2.866
9.4939
9.4939
5.696
9.9939
4.4068
4.7175
5.3388
5.6494
2
6.628
4.9816
2
6.9386
5.2923
6.2708
6.6029
4.5981
4.5981
3.1951
8.1839
8.1839
6.9705
4.882
9.8039
9.8039
10.6139
3.8001
4.3034
4.7918
4.9562
1.788
1.3894
7.042
4.3749
1.38
2
2.62
7.5453
4.8782
6.4634
-0.6589
2.5245
-4.6204
-3.1204
-2.1204
-1.8156
-2.6204
-3.1204
-3.4251
-2.6204
-1.6204
-3.6204
-0.8651
-3.1204
-2.1204
-0.1208
-1.7544
-3.4864
0.8297
-0.327
-3.6204
-1.7544
-3.4864
1.574
-2.6204
0.4173
1.3678
3.2688
4.2193
-5.1204
4.4256
4.9636
-6.1204
5.3761
5.9142
6.1204
-4.0144
-1.0004
-4.2404
-1.8104
-1.2174
-4.0233
0.9576
-0.9164
-1.2174
-4.0233
-2.6204
0.2894
1.8292
3.5608
2.7809
-4.5378
-5.228
3.9641
4.8358
-6.1204
-6.7404
-6.1204
5.5039
6.3756
6.7097
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
728
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A38000000000000000000000000000001600000003C60C100000000005801F400001E00000000000C0CE19E063ECEB30C1C00A803B4F74C0082882037222008D821BE6CD80C26F2C4B5BB863928E4C011C8E987BED9F39E80000100000000000000020000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(3-benzyloxybenzoyl)-2-phenyl-indolizine-7-carboxylate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[oxo-(3-phenylmethoxyphenyl)methyl]-2-phenyl-7-indolizinecarboxylic acid ethyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 2-phenyl-3-(3-phenylmethoxybenzoyl)indolizine-7-carboxylate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 2-phenyl-3-(3-phenylmethoxyphenyl)carbonyl-indolizine-7-carboxylate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3-benzoxybenzoyl)-2-phenyl-indolizine-7-carboxylic acid ethyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C31H25NO4/c1-2-35-31(34)25-16-17-32-26(18-25)20-28(23-12-7-4-8-13-23)29(32)30(33)24-14-9-15-27(19-24)36-21-22-10-5-3-6-11-22/h3-20H,2,21H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XXRJDVGOPOFNQK-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
7.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
475.178358
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C31H25NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
475.5345
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
57
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
475.178358
36
0
0
0
0
0
0
0
1
1