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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C27H35NO7 MolecularWeight: 485.5693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H35NO7/c1-4-5-6-17-34-22-10-8-21(9-11-22)23(29)12-14-27(31)35-19-26(30)28-16-15-20-7-13-24(32-2)25(18-20)33-3/h7-11,13,18H,4-6,12,14-17,19H2,1-3H3,(H,28,30)