[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-13(2)24(14(3)4)21(25)15(5)27-22(26)18-12-20(16-10-11-16)23-19-9-7-6-8-17(18)19/h6-9,12-16H,10-11H2,1-5H3/t15-/m0/s1