[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H17N3O4/c1-3-15(17(22)20-16-10-11(2)25-21-16)24-18(23)14-9-8-12-6-4-5-7-13(12)19-14/h4-10,15H,3H2,1-2H3,(H,20,21,22)/t15-/m0/s1