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

Systemtic Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methyl]-5-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-butyl-6-(4-carboxybenzyl)pyrimidin-5-yl]methyl]phenyl]benzoic acid Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1=NC=NC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H28N2O4/c1-2-3-8-27-26(28(32-19-31-27)18-21-11-15-23(16-12-21)29(33)34)17-20-9-13-22(14-10-20)24-6-4-5-7-25(24)30(35)36/h4-7,9-16,19H,2-3,8,17-18H2,1H3,(H,33,34)(H,35,36)