[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O6/c1-14(29-17-7-4-15(11-22)5-8-17)21(25)28-13-20(24)23-12-16-6-9-18(26-2)19(10-16)27-3/h4-10,14H,12-13H2,1-3H3,(H,23,24)/t14-/m1/s1