2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxo-pyrimidin-1-yl]methyl]benzoic acid CAS Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxo-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-butyl-5-[4-(2-carboxyphenyl)benzyl]-6-keto-2-methyl-pyrimidin-1-yl]methyl]benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC2=CC=CC=C2C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC2=CC=CC=C2C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H30N2O5/c1-3-4-13-28-27(18-21-14-16-22(17-15-21)24-10-7-8-12-26(24)31(37)38)29(34)33(20(2)32-28)19-23-9-5-6-11-25(23)30(35)36/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,35,36)(H,37,38)