1-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-3-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-3-phenyl-indole-6-carboxylic acid Openeye Name: 1-[2-[4-(4-isopropylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-indole-6-carboxylic acid CAS Name: 1-[2-oxo-2-[4-(4-propan-2-ylphenyl)-1-piperazinyl]ethyl]-3-phenyl-6-indolecarboxylic acid IUPAC Name: 1-[2-oxo-2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-3-phenylindole-6-carboxylic acid Traditional Name: 1-[2-keto-2-(4-p-cumenylpiperazino)ethyl]-3-phenyl-indole-6-carboxylic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

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