methyl (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CN3CCCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)F)CN3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H22FN3O3/c1-29-21(27)19-17(13-26-12-4-6-14-5-2-3-7-18(14)26)24-22(28)25-20(19)15-8-10-16(23)11-9-15/h2-3,5,7-11,20H,4,6,12-13H2,1H3,(H2,24,25,28)/t20-/m1/s1