[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H19N3O4/c1-12-13-6-3-4-7-14(13)21-15(10-24-2)17(12)18(23)25-11-16(22)20-9-5-8-19/h3-4,6-7H,5,9-11H2,1-2H3,(H,20,22)