[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2OC)OC

InChI

InChI=1S/C21H25NO6/c1-5-12-27-18-11-10-15(13-19(18)26-4)21(24)28-14(2)20(23)22-16-8-6-7-9-17(16)25-3/h6-11,13-14H,5,12H2,1-4H3,(H,22,23)/t14-/m0/s1