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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO6/c1-4-18(29-17-8-6-5-7-9-17)22(25)28-15-21(24)23-13-12-16-10-11-19(26-2)20(14-16)27-3/h5-11,14,18H,4,12-13,15H2,1-3H3,(H,23,24)/t18-/m1/s1