[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C19H20ClNO5/c1-12(26-19(24)16-8-5-14(20)11-17(16)22)18(23)21-10-9-13-3-6-15(25-2)7-4-13/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,23)/t12-/m0/s1