3-cyclohexyl-2-(4-methoxyphenyl)-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(4-methoxyphenyl)-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-cyclohexyl-2-(4-methoxyphenyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(4-methoxyphenyl)-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-cyclohexyl-2-(4-methoxyphenyl)indole-6-carboxylic acid Traditional Name: 1-benzyl-3-cyclohexyl-2-(4-methoxyphenyl)indole-6-carboxylic acid Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(N2CC4=CC=CC=C4)C=C(C=C3)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(N2CC4=CC=CC=C4)C=C(C=C3)C(=O)O)C5CCCCC5

InChI

InChI=1S/C29H29NO3/c1-33-24-15-12-22(13-16-24)28-27(21-10-6-3-7-11-21)25-17-14-23(29(31)32)18-26(25)30(28)19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,21H,3,6-7,10-11,19H2,1H3,(H,31,32)