[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C20H21N3O3/c1-13(19(24)23(2)11-5-10-21)26-20(25)16-12-18(14-8-9-14)22-17-7-4-3-6-15(16)17/h3-4,6-7,12-14H,5,8-9,11H2,1-2H3/t13-/m1/s1