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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-17(28-16-8-6-5-7-9-16)21(24)27-14-20(23)22-13-15-10-11-18(25-2)19(12-15)26-3/h5-12,17H,4,13-14H2,1-3H3,(H,22,23)/t17-/m1/s1