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

Systemtic Name: cycloheptyl (4S)-6-methyl-2-oxidanylidene-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl (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 cycloheptyl ester IUPAC Name: cycloheptyl (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 cycloheptyl 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)OC3CCCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3

InChI

InChI=1S/C22H30N2O4/c1-3-14-27-17-12-10-16(11-13-17)20-19(15(2)23-22(26)24-20)21(25)28-18-8-6-4-5-7-9-18/h10-13,18,20H,3-9,14H2,1-2H3,(H2,23,24,26)/t20-/m0/s1