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

Systemtic Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methoxymethyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methoxymethyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methoxymethyl]-5-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-butyl-6-[(4-carboxyphenyl)methoxymethyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-butyl-6-[(4-carboxybenzyl)oxymethyl]pyrimidin-5-yl]methyl]phenyl]benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC=N1)COCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C(=NC=N1)COCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H30N2O5/c1-2-3-8-28-27(17-21-9-13-23(14-10-21)25-6-4-5-7-26(25)31(36)37)29(33-20-32-28)19-38-18-22-11-15-24(16-12-22)30(34)35/h4-7,9-16,20H,2-3,8,17-19H2,1H3,(H,34,35)(H,36,37)