1-[[3-(4-aminocarbonylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid

Systemtic Name: 1-[[3-(4-aminocarbonylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carbamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carbamoyl-1-piperazinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-carbamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-carbamoylpiperazino)benzyl]indole-2-carboxylic acid Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)N5CCN(CC5)C(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)N5CCN(CC5)C(=O)N)C(=O)O

InChI

InChI=1S/C31H34N4O3/c1-31(2,3)23-13-11-22(12-14-23)27-25-9-4-5-10-26(25)35(28(27)29(36)37)20-21-7-6-8-24(19-21)33-15-17-34(18-16-33)30(32)38/h4-14,19H,15-18,20H2,1-3H3,(H2,32,38)(H,36,37)