4-[4-[2-[(4-methoxyquinolin-2-yl)carbonylamino]ethanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-[(4-methoxyquinolin-2-yl)carbonylamino]ethanoyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-1-oxoethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazino]butyric acid Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NCC(=O)N3CCN(CC3)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NCC(=O)N3CCN(CC3)C(=O)CCC(=O)O

InChI

InChI=1S/C21H24N4O6/c1-31-17-12-16(23-15-5-3-2-4-14(15)17)21(30)22-13-19(27)25-10-8-24(9-11-25)18(26)6-7-20(28)29/h2-5,12H,6-11,13H2,1H3,(H,22,30)(H,28,29)