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

Systemtic Name: 4-(4-methyl-2-oxidanylidene-6-phenanthren-9-yl-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(9-phenanthryl)-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-2-oxo-6-(9-phenanthrenyl)-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-(4-methyl-2-oxo-6-phenanthren-9-yl-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl)butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(9-phenanthryl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5/c1-20-28(30(36)38-19-21-10-3-2-4-11-21)29(32-31(37)33(20)17-9-16-27(34)35)26-18-22-12-5-6-13-23(22)24-14-7-8-15-25(24)26/h2-8,10-15,18,29H,9,16-17,19H2,1H3,(H,32,37)(H,34,35)