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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO7/c1-6-29-18-10-8-16(12-20(18)28-5)22(25)30-14(2)21(24)23-13-15-7-9-17(26-3)19(11-15)27-4/h7-12,14H,6,13H2,1-5H3,(H,23,24)/t14-/m1/s1