[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O3/c1-14(20(25)22-16-9-11-17(12-10-16)24(2)3)27-21(26)19-13-8-15-6-4-5-7-18(15)23-19/h4-14H,1-3H3,(H,22,25)/t14-/m0/s1