[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C27H27NO7 MolecularWeight: 477.50578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H27NO7/c1-18(29)35-23-11-9-21(10-12-23)20-5-7-22(8-6-20)27(31)34-17-26(30)28-15-14-19-4-13-24(32-2)25(16-19)33-3/h4-13,16H,14-15,17H2,1-3H3,(H,28,30)