[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 5-(4-bromoanilino)-5-oxo-pentanoate CAS Name: 5-(4-bromoanilino)-5-oxopentanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 5-(4-bromoanilino)-5-oxopentanoate Traditional Name: 5-(4-bromoanilino)-5-keto-valeric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C21H23BrN2O4/c1-14-10-15(2)12-18(11-14)24-20(26)13-28-21(27)5-3-4-19(25)23-17-8-6-16(22)7-9-17/h6-12H,3-5,13H2,1-2H3,(H,23,25)(H,24,26)