cyclooctyl 6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclooctyl 6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4CCCCCCC4

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4CCCCCCC4

InChI

InChI=1S/C26H30N2O4/c1-18-23(25(29)32-21-14-6-3-2-4-7-15-21)24(28-26(30)27-18)19-11-10-16-22(17-19)31-20-12-8-5-9-13-20/h5,8-13,16-17,21,24H,2-4,6-7,14-15H2,1H3,(H2,27,28,30)