3-methylbutyl 3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-methylbutyl 3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopentyl 6-(4-benzyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-benzoxyphenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid isoamyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCCC(C)C

InChI

InChI=1S/C25H30N2O4/c1-17(2)14-15-30-24(28)22-18(3)27(4)25(29)26-23(22)20-10-12-21(13-11-20)31-16-19-8-6-5-7-9-19/h5-13,17,23H,14-16H2,1-4H3,(H,26,29)