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

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-ethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 5-(2-ethylanilino)-5-oxo-pentanoate CAS Name: 5-(2-ethylanilino)-5-oxopentanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate Traditional Name: 5-(2-ethylanilino)-5-keto-valeric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=C(C(=C(C=C2)Br)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=C(C(=C(C=C2)Br)C)C

InChI

InChI=1S/C23H27BrN2O4/c1-4-17-8-5-6-9-20(17)26-21(27)10-7-11-23(29)30-14-22(28)25-19-13-12-18(24)15(2)16(19)3/h5-6,8-9,12-13H,4,7,10-11,14H2,1-3H3,(H,25,28)(H,26,27)