2-phenethyl-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid

Systemtic Name: 2-phenethyl-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Openeye Name: 2-phenethyl-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid CAS Name: 2-phenethyl-3-(4-phenyl-1-cyclohexenyl)-1H-indole-6-carboxylic acid IUPAC Name: 2-phenethyl-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Traditional Name: 2-phenethyl-3-(4-phenylcyclohexen-1-yl)-1H-indole-6-carboxylic acid Formula: C29H27NO2 MolecularWeight: 421.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)O)CCC5=CC=CC=C5

Isomeric SMILES

C1CC(=CCC1C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)O)CCC5=CC=CC=C5

InChI

InChI=1S/C29H27NO2/c31-29(32)24-16-17-25-27(19-24)30-26(18-11-20-7-3-1-4-8-20)28(25)23-14-12-22(13-15-23)21-9-5-2-6-10-21/h1-10,14,16-17,19,22,30H,11-13,15,18H2,(H,31,32)