2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]quinoline-4-carboxylate

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]quinoline-4-carboxylate Openeye Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]quinoline-4-carboxylate CAS Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-quinolinecarboxylate IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]quinoline-4-carboxylate Traditional Name: 2-[2-(2,4-dimethylanilino)-2-keto-ethyl]cinchoninate Formula: C20H17N2O3- MolecularWeight: 333.36058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

InChI

InChI=1S/C20H18N2O3/c1-12-7-8-17(13(2)9-12)22-19(23)11-14-10-16(20(24)25)15-5-3-4-6-18(15)21-14/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25)/p-1