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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-hexoxybenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H33NO6/c1-4-5-6-7-16-31-21-11-9-20(10-12-21)25(28)32-18-24(27)26-15-14-19-8-13-22(29-2)23(17-19)30-3/h8-13,17H,4-7,14-16,18H2,1-3H3,(H,26,27)