[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-chlorobenzyl)-6-keto-nicotinic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CCC(C)NC(=O)COC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C22H27ClN2O4/c1-15(2)8-9-16(3)24-20(26)14-29-22(28)18-10-11-21(27)25(13-18)12-17-6-4-5-7-19(17)23/h4-7,10-11,13,15-16H,8-9,12,14H2,1-3H3,(H,24,26)