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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-ethanoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 1-[[3-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid CAS Name: 1-[[3-(4-acetyl-1-piperazinyl)phenyl]methyl]-3-(4-tert-butylphenyl)-2-indolecarboxylic acid IUPAC Name: 1-[[3-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid Traditional Name: 1-[3-(4-acetylpiperazino)benzyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C32H35N3O3/c1-22(36)33-16-18-34(19-17-33)26-9-7-8-23(20-26)21-35-28-11-6-5-10-27(28)29(30(35)31(37)38)24-12-14-25(15-13-24)32(2,3)4/h5-15,20H,16-19,21H2,1-4H3,(H,37,38)