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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-methoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-methoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-methoxycarbonyl-1-piperazinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-methoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-carbomethoxypiperazino)benzyl]indole-2-carboxylic acid Formula: C32H35N3O4 MolecularWeight: 525.638

Click to see the large picture

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)OC)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)OC)C(=O)O

InChI

InChI=1S/C32H35N3O4/c1-32(2,3)24-14-12-23(13-15-24)28-26-10-5-6-11-27(26)35(29(28)30(36)37)21-22-8-7-9-25(20-22)33-16-18-34(19-17-33)31(38)39-4/h5-15,20H,16-19,21H2,1-4H3,(H,36,37)