[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=NC=CC(=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=NC=CC(=C2)Cl

InChI

InChI=1S/C18H19ClN2O5/c1-11(26-18(23)14-9-13(19)6-7-20-14)17(22)21-10-12-4-5-15(24-2)16(8-12)25-3/h4-9,11H,10H2,1-3H3,(H,21,22)/t11-/m0/s1