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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C21H25NO5/c1-5-12-26-18-11-8-16(13-19(18)25-4)21(24)27-15(3)20(23)22-17-9-6-14(2)7-10-17/h6-11,13,15H,5,12H2,1-4H3,(H,22,23)/t15-/m0/s1