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

Systemtic Name: 2-[4-[[6-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-butyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-butyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-butyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-butyl-2,4-diketo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)NC(=O)N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)NC(=O)N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-2-3-8-19-18(20(25)24-22(28)23-19)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21(26)27/h4-7,9-12H,2-3,8,13H2,1H3,(H,26,27)(H2,23,24,25,28)