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

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-ethoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 5-(4-ethoxyanilino)-5-oxo-pentanoate CAS Name: 5-(4-ethoxyanilino)-5-oxopentanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(p-phenetidino)valeric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C23H27BrN2O5 MolecularWeight: 491.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=C(C(=C(C=C2)Br)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=O)NC2=C(C(=C(C=C2)Br)C)C

InChI

InChI=1S/C23H27BrN2O5/c1-4-30-18-10-8-17(9-11-18)25-21(27)6-5-7-23(29)31-14-22(28)26-20-13-12-19(24)15(2)16(20)3/h8-13H,4-7,14H2,1-3H3,(H,25,27)(H,26,28)