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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C26H30N2O4/c1-18-23(25(29)32-22-11-7-2-3-8-12-22)24(28-26(30)27-18)20-13-15-21(16-14-20)31-17-19-9-5-4-6-10-19/h4-6,9-10,13-16,22,24H,2-3,7-8,11-12,17H2,1H3,(H2,27,28,30)/t24-/m0/s1