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

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)OCC)OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)OCC)OC

InChI

InChI=1S/C21H22BrNO6/c1-4-19(25)23-15-8-6-13(7-9-15)17(24)12-29-21(26)14-10-16(22)20(28-5-2)18(11-14)27-3/h6-11H,4-5,12H2,1-3H3,(H,23,25)