methyl (2S)-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-keto-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C20H20N2O4/c1-26-20(25)17(11-13-5-3-2-4-6-13)22-19(24)15-7-9-16-14(12-15)8-10-18(23)21-16/h2-7,9,12,17H,8,10-11H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1