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

Systemtic Name: 2-[4-[[6-butyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-benzyl-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-butyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-benzyl-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-benzyl-6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O3/c1-2-3-13-26-25(28(32)31-27(30-26)19-20-9-5-4-6-10-20)18-21-14-16-22(17-15-21)23-11-7-8-12-24(23)29(33)34/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,33,34)(H,30,31,32)