[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H24BrNO4/c1-4-15-5-7-16(8-6-15)19(25)13-28-22(27)20(14(2)3)24-21(26)17-9-11-18(23)12-10-17/h5-12,14,20H,4,13H2,1-3H3,(H,24,26)