[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)OC

InChI

InChI=1S/C22H26BrNO6/c1-4-11-29-21-18(23)12-16(13-19(21)28-3)22(26)30-14-20(25)24-10-9-15-5-7-17(27-2)8-6-15/h5-8,12-13H,4,9-11,14H2,1-3H3,(H,24,25)