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

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

CC(CCN1C=C(C2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(CCN1C=C(C2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H37N5O2/c1-26(37-18-20-38(21-19-37)33(27-8-4-2-5-9-27)28-10-6-3-7-11-28)14-16-39-24-30(23-36-17-15-35-25-36)31-13-12-29(34(40)41)22-32(31)39/h2-13,15,17,22,24-26,33H,14,16,18-21,23H2,1H3,(H,40,41)