methyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)CN3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H25N3O4/c1-25-14-8-6-13(7-9-14)17-16(18(23)26-2)15(20-19(24)21-17)12-22-10-4-3-5-11-22/h6-9,17H,3-5,10-12H2,1-2H3,(H2,20,21,24)/t17-/m0/s1