[1-(4-bromophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(4-bromophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [1-(4-bromophenyl)-2-(cyclopropylamino)-2-oxo-ethyl] 4-(2,5-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid [1-(4-bromophenyl)-2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [1-(4-bromophenyl)-2-(cyclopropylamino)-2-oxoethyl] 4-(2,5-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethoxyphenyl)-4-keto-butyric acid [1-(4-bromophenyl)-2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C23H24BrNO6 MolecularWeight: 490.34376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OC(C2=CC=C(C=C2)Br)C(=O)NC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OC(C2=CC=C(C=C2)Br)C(=O)NC3CC3

InChI

InChI=1S/C23H24BrNO6/c1-29-17-9-11-20(30-2)18(13-17)19(26)10-12-21(27)31-22(23(28)25-16-7-8-16)14-3-5-15(24)6-4-14/h3-6,9,11,13,16,22H,7-8,10,12H2,1-2H3,(H,25,28)