[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(4-acetylanilino)-2-keto-1-methyl-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)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)OC

InChI

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