1-phenyl-3-[[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]methyl]indole-5-carboxylic acid

Systemtic Name: 1-phenyl-3-[[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]methyl]indole-5-carboxylic acid Openeye Name: 3-[[4-(4-isopropylbenzoyl)piperazin-1-yl]methyl]-1-phenyl-indole-5-carboxylic acid CAS Name: 3-[[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-1-phenyl-5-indolecarboxylic acid IUPAC Name: 1-phenyl-3-[[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]methyl]indole-5-carboxylic acid Traditional Name: 3-[(4-cumoylpiperazino)methyl]-1-phenyl-indole-5-carboxylic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CN(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CN(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-21(2)22-8-10-23(11-9-22)29(34)32-16-14-31(15-17-32)19-25-20-33(26-6-4-3-5-7-26)28-13-12-24(30(35)36)18-27(25)28/h3-13,18,20-21H,14-17,19H2,1-2H3,(H,35,36)