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

Systemtic Name: phenethyl (4S)-6-methyl-2-oxidanylidene-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-3-14-28-19-11-9-18(10-12-19)21-20(16(2)24-23(27)25-21)22(26)29-15-13-17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H2,24,25,27)/t21-/m0/s1