methyl (2S)-1-ethanoyl-4-oxidanylidene-2-(3-oxidanylpropyl)-2,3-dihydroquinoline-6-carboxylate

Systemtic Name: methyl (2S)-1-ethanoyl-4-oxidanylidene-2-(3-oxidanylpropyl)-2,3-dihydroquinoline-6-carboxylate Openeye Name: methyl (2S)-1-acetyl-2-(3-hydroxypropyl)-4-oxo-2,3-dihydroquinoline-6-carboxylate CAS Name: (2S)-1-acetyl-2-(3-hydroxypropyl)-4-oxo-2,3-dihydroquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl (2S)-1-acetyl-2-(3-hydroxypropyl)-4-oxo-2,3-dihydroquinoline-6-carboxylate Traditional Name: (2S)-1-acetyl-2-(3-hydroxypropyl)-4-keto-2,3-dihydroquinoline-6-carboxylic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=C1C=CC(=C2)C(=O)OC)CCCO

Isomeric SMILES

CC(=O)N1[C@H](CC(=O)C2=C1C=CC(=C2)C(=O)OC)CCCO

InChI

InChI=1S/C16H19NO5/c1-10(19)17-12(4-3-7-18)9-15(20)13-8-11(16(21)22-2)5-6-14(13)17/h5-6,8,12,18H,3-4,7,9H2,1-2H3/t12-/m0/s1