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

Systemtic Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-methoxyphenyl)-2-oxo-6-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(3-methoxyphenyl)-6-(pyrrolidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)CN3CCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)CN3CCCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-24-13-7-5-6-12(10-13)16-15(17(22)25-2)14(19-18(23)20-16)11-21-8-3-4-9-21/h5-7,10,16H,3-4,8-9,11H2,1-2H3,(H2,19,20,23)/t16-/m0/s1