[2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[4-(4-methoxyphenoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[4-(4-methoxyphenoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-ethyl-anilino)-2-oxo-ethyl] 1-[4-(4-methoxyphenoxy)phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[4-(4-methoxyphenoxy)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-2-oxoethyl] 1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[4-(4-methoxyphenoxy)phenyl]pyrrolidine-3-carboxylic acid [2-(4-bromo-2-ethyl-anilino)-2-keto-ethyl] ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H27BrN2O6/c1-3-18-14-20(29)4-13-25(18)30-26(32)17-36-28(34)19-15-27(33)31(16-19)21-5-7-23(8-6-21)37-24-11-9-22(35-2)10-12-24/h4-14,19H,3,15-17H2,1-2H3,(H,30,32)