cyclohexylmethyl (4S)-6-ethyl-2-oxidanylidene-4-[3-(phenylcarbonyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclohexylmethyl (4S)-6-ethyl-2-oxidanylidene-4-[3-(phenylcarbonyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexylmethyl (4S)-4-(3-benzoyloxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-benzoyloxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (4S)-4-(3-benzoyloxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-benzoyloxyphenyl)-6-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OCC4CCCCC4

Isomeric SMILES

CCC1=C([C@@H](NC(=O)N1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OCC4CCCCC4

InChI

InChI=1S/C27H30N2O5/c1-2-22-23(26(31)33-17-18-10-5-3-6-11-18)24(29-27(32)28-22)20-14-9-15-21(16-20)34-25(30)19-12-7-4-8-13-19/h4,7-9,12-16,18,24H,2-3,5-6,10-11,17H2,1H3,(H2,28,29,32)/t24-/m0/s1