1-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Openeye Name: 1-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Traditional Name: 1-[2-(4-benzhydrylpiperazino)ethyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Formula: C32H33N5O2 MolecularWeight: 519.63672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H33N5O2/c38-32(39)27-11-12-29-28(22-35-14-13-33-24-35)23-37(30(29)21-27)20-17-34-15-18-36(19-16-34)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,21,23-24,31H,15-20,22H2,(H,38,39)