2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclohexylmethyl)indole-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclohexylmethyl)indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclohexylmethyl)indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclohexylmethyl)-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclohexylmethyl)indole-3-carboxylic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-1-(cyclohexylmethyl)indole-3-carboxylic acid Formula: C30H28N2O2 MolecularWeight: 448.55552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=CC=CC=C3C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C3=CC=CC=C3C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C30H28N2O2/c31-19-24-10-4-5-11-25(24)23-16-14-21(15-17-23)18-28-29(30(33)34)26-12-6-7-13-27(26)32(28)20-22-8-2-1-3-9-22/h4-7,10-17,22H,1-3,8-9,18,20H2,(H,33,34)