methyl 2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinolin-4-yl)carbonylamino]ethanoate

Systemtic Name: methyl 2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinolin-4-yl)carbonylamino]ethanoate Openeye Name: methyl 2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate CAS Name: 2-(1-cyclohexa-1,4-dienyl)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate Traditional Name: 2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetic acid methyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CCC=CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=CCC=CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-6,8-11,13-16,23H,7,12H2,1H3,(H,27,28)