[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H21N3O3/c1-12-15-6-4-5-7-16(15)22-13(2)18(12)19(25)26-10-17(24)23-20(3,11-21)14-8-9-14/h4-7,14H,8-10H2,1-3H3,(H,23,24)/t20-/m1/s1