[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic 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-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27NO6/c1-15(29-21(24)12-8-16-5-9-18(26-2)10-6-16)22(25)23-14-17-7-11-19(27-3)20(13-17)28-4/h5-7,9-11,13,15H,8,12,14H2,1-4H3,(H,23,25)/t15-/m1/s1