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

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Formula: C33H35N5O2 MolecularWeight: 533.6633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H35N5O2/c39-33(40)28-12-13-30-29(23-36-17-14-34-25-36)24-38(31(30)22-28)16-7-15-35-18-20-37(21-19-35)32(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-14,17,22,24-25,32H,7,15-16,18-21,23H2,(H,39,40)