[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H21N3O4/c1-12(2)9-10-19-18(24)21-16(22)11-25-17(23)15-8-7-13-5-3-4-6-14(13)20-15/h3-8,12H,9-11H2,1-2H3,(H2,19,21,22,24)