1-[(3-cyanophenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-3-cyclohexyl-2-phenyl-6-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-3-cyclohexyl-2-phenylindole-6-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid Formula: C29H26N2O2 MolecularWeight: 434.52894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H26N2O2/c30-18-20-8-7-9-21(16-20)19-31-26-17-24(29(32)33)14-15-25(26)27(22-10-3-1-4-11-22)28(31)23-12-5-2-6-13-23/h2,5-9,12-17,22H,1,3-4,10-11,19H2,(H,32,33)