[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H25NO5/c1-5-25-18-12-9-16(13-19(18)26-6-2)21(24)27-15(4)20(23)22-17-10-7-14(3)8-11-17/h7-13,15H,5-6H2,1-4H3,(H,22,23)/t15-/m1/s1