tert-butyl 4-[3-bromanyl-4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-[3-bromanyl-4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-[3-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxo-ethoxy]-5-methoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]-5-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]-5-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-bromo-4-[2-(4-carbethoxyanilino)-2-keto-ethoxy]-5-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C28H32BrN3O8 MolecularWeight: 618.47298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C3C(=C(NC(=O)N3)C)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C3C(=C(NC(=O)N3)C)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C28H32BrN3O8/c1-7-38-25(34)16-8-10-18(11-9-16)31-21(33)14-39-24-19(29)12-17(13-20(24)37-6)23-22(15(2)30-27(36)32-23)26(35)40-28(3,4)5/h8-13,23H,7,14H2,1-6H3,(H,31,33)(H2,30,32,36)