[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCC2=CC=CC=C2OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@@H](C)C(=O)NCC2=CC=CC=C2OC)OC

InChI

InChI=1S/C21H24ClNO6/c1-5-28-19-16(22)10-15(11-18(19)27-4)21(25)29-13(2)20(24)23-12-14-8-6-7-9-17(14)26-3/h6-11,13H,5,12H2,1-4H3,(H,23,24)/t13-/m0/s1