[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H25NO6/c1-15(21(24)22-16-11-12-18(25-2)19(14-16)26-3)28-20(23)10-7-13-27-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,22,24)/t15-/m1/s1