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

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[4-(3-chlorophenyl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-[4-(3-chlorophenyl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C26H27ClN4O5 MolecularWeight: 510.96938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN4O5/c1-36-23-16-22(28-20-8-3-2-7-19(20)23)25(34)29-21(9-10-24(32)33)26(35)31-13-11-30(12-14-31)18-6-4-5-17(27)15-18/h2-8,15-16,21H,9-14H2,1H3,(H,29,34)(H,32,33)