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

Systemtic Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxidanylidene-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(4-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=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCC(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-4-13-27-17-11-7-16(8-12-17)20-19(15(3)23-22(26)24-20)21(25)28-18-9-5-14(2)6-10-18/h7-8,11-12,14,18,20H,4-6,9-10,13H2,1-3H3,(H2,23,24,26)/t14?,18?,20-/m0/s1