6-[6-(4-tert-butylphenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[6-(4-tert-butylphenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-6-(4-tert-butylphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(4-tert-butylphenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(4-tert-butylphenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(4-tert-butylphenyl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O5/c1-20-25(27(34)36-19-21-11-7-5-8-12-21)26(22-14-16-23(17-15-22)29(2,3)4)30-28(35)31(20)18-10-6-9-13-24(32)33/h5,7-8,11-12,14-17,26H,6,9-10,13,18-19H2,1-4H3,(H,30,35)(H,32,33)