ethyl (4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-ethoxy-4-propargyloxy-phenyl)-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC#C)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2)OCC#C)OCC)C(=O)OCC

InChI

InChI=1S/C21H26N2O5/c1-5-9-15-18(20(24)27-8-4)19(23-21(25)22-15)14-10-11-16(28-12-6-2)17(13-14)26-7-3/h2,10-11,13,19H,5,7-9,12H2,1,3-4H3,(H2,22,23,25)/t19-/m1/s1