4-[(6R)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(3-prop-2-enoxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[(6R)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-(3-prop-2-enoxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[(6R)-6-(3-allyloxyphenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[(6R)-5-ethoxycarbonyl-4-methyl-2-oxo-6-(3-prop-2-enoxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[(6R)-5-ethoxycarbonyl-4-methyl-2-oxo-6-(3-prop-2-enoxyphenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[(6R)-6-(3-allyloxyphenyl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OCC=C)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC(=CC=C2)OCC=C)CCCC(=O)O)C

InChI

InChI=1S/C21H26N2O6/c1-4-12-29-16-9-6-8-15(13-16)19-18(20(26)28-5-2)14(3)23(21(27)22-19)11-7-10-17(24)25/h4,6,8-9,13,19H,1,5,7,10-12H2,2-3H3,(H,22,27)(H,24,25)/t19-/m1/s1