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

Systemtic Name: phenethyl (4S)-4-(2-butoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl (4S)-4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-butoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-3-4-15-29-20-13-9-8-12-19(20)22-21(17(2)25-24(28)26-22)23(27)30-16-14-18-10-6-5-7-11-18/h5-13,22H,3-4,14-16H2,1-2H3,(H2,25,26,28)/t22-/m0/s1