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4-[1-cyano-2-[1-[(3-methylphenyl)methyl]indol-3-yl]ethenyl]benzoic acid
4-[1-cyano-2-[1-[(3-methylphenyl)methyl]indol-3-yl]ethenyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=CC=C(C=C4)C(=O)O
Isomeric SMILES
CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C26H20N2O2/c1-18-5-4-6-19(13-18)16-28-17-23(24-7-2-3-8-25(24)28)14-22(15-27)20-9-11-21(12-10-20)26(29)30/h2-14,17H,16H2,1H3,(H,29,30)
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