2-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoic acid

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(4-benzyloxyquinoline-2-carbonyl)amino]-2-[4-(m-tolyl)piperazine-1-carbonyl]butanoic acid CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]butanoic acid IUPAC Name: 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(4-benzoxyquinoline-2-carbonyl)amino]-2-[4-(m-tolyl)piperazine-1-carbonyl]butyric acid Formula: C33H34N4O5 MolecularWeight: 566.64686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCNC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCNC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H34N4O5/c1-23-8-7-11-25(20-23)36-16-18-37(19-17-36)32(39)27(33(40)41)14-15-34-31(38)29-21-30(26-12-5-6-13-28(26)35-29)42-22-24-9-3-2-4-10-24/h2-13,20-21,27H,14-19,22H2,1H3,(H,34,38)(H,40,41)