[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO6/c1-4-10-29-21-17(23)11-15(12-19(21)28-3)22(27)30-13-18(25)14-6-8-16(9-7-14)24-20(26)5-2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,24,26)