[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C

InChI

InChI=1S/C18H19ClN2O3/c1-11-4-5-14(8-12(11)2)13(3)21-17(22)10-24-18(23)15-6-7-16(19)20-9-15/h4-9,13H,10H2,1-3H3,(H,21,22)