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

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Openeye Name: 1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Traditional Name: 1-[4-(4-benzhydrylpiperazino)butyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Formula: C34H37N5O2 MolecularWeight: 547.68988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H37N5O2/c40-34(41)29-13-14-31-30(24-37-18-15-35-26-37)25-39(32(31)23-29)17-8-7-16-36-19-21-38(22-20-36)33(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-6,9-15,18,23,25-26,33H,7-8,16-17,19-22,24H2,(H,40,41)