ethyl (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(2-chlorobenzyl)oxy-3-ethoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)OCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H25ClN2O5/c1-4-29-19-12-15(10-11-18(19)31-13-16-8-6-7-9-17(16)24)21-20(22(27)30-5-2)14(3)25-23(28)26-21/h6-12,21H,4-5,13H2,1-3H3,(H2,25,26,28)/t21-/m0/s1