[(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-1-pyridin-2-yl-ethyl] 2-chloranylethanoate

Systemtic Name: [(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-1-pyridin-2-yl-ethyl] 2-chloranylethanoate Openeye Name: [(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-(2-pyridyl)ethyl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-(2-pyridinyl)ethyl] ester IUPAC Name: [(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-pyridin-2-ylethyl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(1S)-2-(homoveratrylamino)-2-keto-1-(2-pyridyl)ethyl] ester Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(C2=CC=CC=N2)OC(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H](C2=CC=CC=N2)OC(=O)CCl)OC

InChI

InChI=1S/C19H21ClN2O5/c1-25-15-7-6-13(11-16(15)26-2)8-10-22-19(24)18(27-17(23)12-20)14-5-3-4-9-21-14/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,22,24)/t18-/m0/s1