4-(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-phenanthren-9-yl-1,6-dihydropyrimidin-3-yl)butanoic acid

Systemtic Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxidanylidene-6-phenanthren-9-yl-1,6-dihydropyrimidin-3-yl)butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-2-oxo-6-(9-phenanthryl)-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-2-oxo-6-(9-phenanthrenyl)-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-(5-ethoxycarbonyl-4-methyl-2-oxo-6-phenanthren-9-yl-1,6-dihydropyrimidin-3-yl)butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-(9-phenanthryl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=CC=CC=C3C4=CC=CC=C42)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=CC=CC=C3C4=CC=CC=C42)CCCC(=O)O)C

InChI

InChI=1S/C26H26N2O5/c1-3-33-25(31)23-16(2)28(14-8-13-22(29)30)26(32)27-24(23)21-15-17-9-4-5-10-18(17)19-11-6-7-12-20(19)21/h4-7,9-12,15,24H,3,8,13-14H2,1-2H3,(H,27,32)(H,29,30)