[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-ethanoylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-ethanoylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 5-(3-acetylanilino)-5-oxo-pentanoate CAS Name: 5-(3-acetylanilino)-5-oxopentanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 5-(3-acetylanilino)-5-oxopentanoate Traditional Name: 5-(3-acetylanilino)-5-keto-valeric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C23H25BrN2O5/c1-14-15(2)20(11-10-19(14)24)26-22(29)13-31-23(30)9-5-8-21(28)25-18-7-4-6-17(12-18)16(3)27/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,25,28)(H,26,29)