[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-3-10-24(12-18(25)23-16-7-5-4-6-14(16)2)19(26)13-28-20(27)15-8-9-17(21)22-11-15/h4-9,11H,3,10,12-13H2,1-2H3,(H,23,25)