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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-3-14-27-18-13-9-8-12-17(18)20-19(15(2)23-22(26)24-20)21(25)28-16-10-6-4-5-7-11-16/h8-9,12-13,16,20H,3-7,10-11,14H2,1-2H3,(H2,23,24,26)/t20-/m0/s1