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

Systemtic Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-pyrimidin-1-yl]methyl]benzoic acid CAS Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxopyrimidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-butyl-5-[4-(2-carboxyphenyl)benzyl]-6-keto-pyrimidin-1-yl]methyl]benzoic acid Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28N2O5/c1-2-3-12-27-26(28(33)32(19-31-27)18-22-8-4-5-10-24(22)29(34)35)17-20-13-15-21(16-14-20)23-9-6-7-11-25(23)30(36)37/h4-11,13-16,19H,2-3,12,17-18H2,1H3,(H,34,35)(H,36,37)