[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)C(C)NC(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)[C@H](C)NC(=O)C)Cl)C

InChI

InChI=1S/C20H21ClN2O4/c1-11-9-12(2)22-19(21)18(11)20(26)27-10-17(25)16-7-5-15(6-8-16)13(3)23-14(4)24/h5-9,13H,10H2,1-4H3,(H,23,24)/t13-/m0/s1