2-[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-benzhydrylpiperazine-1-carbonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[4-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-benzhydrylpiperazine-1-carbonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-benzhydrylpiperazine-1-carbonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C35H33N3O4 MolecularWeight: 559.65422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)N5CC6=CC=CC=C6CC5C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)N5CC6=CC=CC=C6CC5C(=O)O

InChI

InChI=1S/C35H33N3O4/c39-33(37-21-19-36(20-22-37)32(25-9-3-1-4-10-25)26-11-5-2-6-12-26)27-15-17-28(18-16-27)34(40)38-24-30-14-8-7-13-29(30)23-31(38)35(41)42/h1-18,31-32H,19-24H2,(H,41,42)