[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C23H22N2O3/c1-25(2)22(26)21(16-8-4-3-5-9-16)28-23(27)18-14-20(15-12-13-15)24-19-11-7-6-10-17(18)19/h3-11,14-15,21H,12-13H2,1-2H3/t21-/m0/s1