[2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2-ethyl-anilino)-2-oxo-ethyl] 5-(2-methoxyanilino)-5-oxo-pentanoate CAS Name: 5-(2-methoxyanilino)-5-oxopentanoic acid [2-(4-bromo-2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-2-oxoethyl] 5-(2-methoxyanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(o-anisidino)valeric acid [2-(4-bromo-2-ethyl-anilino)-2-keto-ethyl] ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C22H25BrN2O5/c1-3-15-13-16(23)11-12-17(15)24-21(27)14-30-22(28)10-6-9-20(26)25-18-7-4-5-8-19(18)29-2/h4-5,7-8,11-13H,3,6,9-10,14H2,1-2H3,(H,24,27)(H,25,26)