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

Systemtic Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-2-keto-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-26-15-8-7-13(11-16(15)27-2)18-17(19(24)28-3)14(21-20(25)22-18)12-23-9-5-4-6-10-23/h7-8,11,18H,4-6,9-10,12H2,1-3H3,(H2,21,22,25)/t18-/m0/s1