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4,7-diphenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
4,7-diphenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES
C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27NO2/c30-27(31)28-20-29(18-21-10-4-1-5-11-21)19-26(28)24(22-12-6-2-7-13-22)16-17-25(28)23-14-8-3-9-15-23/h1-16,25-26H,17-20H2,(H,30,31)
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