methyl 6-(2-chloroethyl)-1-(2-methyl-4-phenylmethoxy-phenyl)-4-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 6-(2-chloroethyl)-1-(2-methyl-4-phenylmethoxy-phenyl)-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-(4-benzyloxy-2-methyl-phenyl)-6-(2-chloroethyl)-4-oxo-pyridine-3-carboxylate CAS Name: 6-(2-chloroethyl)-1-(2-methyl-4-phenylmethoxyphenyl)-4-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethyl)-1-(2-methyl-4-phenylmethoxyphenyl)-4-oxopyridine-3-carboxylate Traditional Name: 1-(4-benzoxy-2-methyl-phenyl)-6-(2-chloroethyl)-4-keto-nicotinic acid methyl ester Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)N3C=C(C(=O)C=C3CCCl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)N3C=C(C(=O)C=C3CCCl)C(=O)OC

InChI

InChI=1S/C23H22ClNO4/c1-16-12-19(29-15-17-6-4-3-5-7-17)8-9-21(16)25-14-20(23(27)28-2)22(26)13-18(25)10-11-24/h3-9,12-14H,10-11,15H2,1-2H3