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

Systemtic Name: 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[3-methyl-4-(m-tolyl)piperazino]valeric acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(CCC(=O)O)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(CCC(=O)O)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C28H32N4O5/c1-18-7-6-8-20(15-18)32-14-13-31(17-19(32)2)28(36)23(11-12-26(33)34)30-27(35)24-16-25(37-3)21-9-4-5-10-22(21)29-24/h4-10,15-16,19,23H,11-14,17H2,1-3H3,(H,30,35)(H,33,34)