5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]pentanoic acid Openeye Name: 4-[(4-benzyloxyquinoline-2-carbonyl)amino]-5-[4-(m-tolyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(3-methylphenyl)-1-piperazinyl]-5-oxo-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]pentanoic acid IUPAC Name: 5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxo-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]pentanoic acid Traditional Name: 4-[(4-benzoxyquinoline-2-carbonyl)amino]-5-keto-5-[4-(m-tolyl)piperazino]valeric acid Formula: C33H34N4O5 MolecularWeight: 566.64686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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