methyl 2-[[(2-phenylquinolin-4-yl)carbonylamino]methyl]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 2-[[(2-phenylquinolin-4-yl)carbonylamino]methyl]cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 2-[[(2-phenylquinoline-4-carbonyl)amino]methyl]cyclohexa-1,4-diene-1-carboxylate CAS Name: 2-[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]methyl]-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-phenylquinoline-4-carbonyl)amino]methyl]cyclohexa-1,4-diene-1-carboxylate Traditional Name: 2-[[(2-phenylquinoline-4-carbonyl)amino]methyl]cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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