methyl 5-cyano-1-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-1-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]nicotinic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C=C(C=C(C2=O)C#N)C(=O)OC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C=C(C=C(C2=O)C#N)C(=O)OC

InChI

InChI=1S/C21H23N3O4/c1-4-9-23(12-16-7-5-15(2)6-8-16)19(25)14-24-13-18(21(27)28-3)10-17(11-22)20(24)26/h5-8,10,13H,4,9,12,14H2,1-3H3