[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO6/c1-13-6-8-16(11-18(13)26-4)21(24)28-14(2)20(23)22-12-15-7-9-17(25-3)19(10-15)27-5/h6-11,14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1