methyl 4-[[3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2CC3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CC[C@H]2CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H22N2O4/c1-27-21(26)15-8-6-14(7-9-15)13-22-19(24)11-10-17-12-16-4-2-3-5-18(16)23-20(17)25/h2-9,17H,10-13H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1