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

Systemtic Name: methyl (4S)-4-(2-methylphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(o-tolyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-methylphenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(o-tolyl)-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)N2)CN3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)CN3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-13-8-4-5-9-14(13)17-16(18(23)25-2)15(20-19(24)21-17)12-22-10-6-3-7-11-22/h4-5,8-9,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)/t17-/m0/s1