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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=C(N=CC=C2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=C(N=CC=C2)N)C

InChI

InChI=1S/C18H21N3O3/c1-11-6-7-14(9-12(11)2)13(3)21-16(22)10-24-18(23)15-5-4-8-20-17(15)19/h4-9,13H,10H2,1-3H3,(H2,19,20)(H,21,22)