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

Systemtic Name: 2-[4-[[4-butyl-1-[(4-carboxyphenyl)methyl]-6-oxidanylidene-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-butyl-1-[(4-carboxyphenyl)methyl]-6-oxo-pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-butyl-1-[(4-carboxyphenyl)methyl]-6-oxo-5-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-butyl-1-[(4-carboxyphenyl)methyl]-6-oxopyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-butyl-1-(4-carboxybenzyl)-6-keto-pyrimidin-5-yl]methyl]phenyl]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=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N(C=N1)CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

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