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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=CC=C2C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCC2=CC=CC=C2C)OC

InChI

InChI=1S/C22H26BrNO5/c1-4-11-28-21-18(23)12-17(13-19(21)27-3)22(26)29-14-20(25)24-10-9-16-8-6-5-7-15(16)2/h5-8,12-13H,4,9-11,14H2,1-3H3,(H,24,25)