(4-methylcyclohexyl) (4S)-6-methyl-2-oxidanylidene-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxidanylidene-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylcyclohexyl) ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OC3CCC(CC3)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)C)C(=O)OC3CCC(CC3)C

InChI

InChI=1S/C22H30N2O4/c1-4-13-27-18-8-6-5-7-17(18)20-19(15(3)23-22(26)24-20)21(25)28-16-11-9-14(2)10-12-16/h5-8,14,16,20H,4,9-13H2,1-3H3,(H2,23,24,26)/t14?,16?,20-/m0/s1