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

Systemtic Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbomethoxy-6-keto-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC

InChI

InChI=1S/C24H24N2O5/c1-3-4-9-21-25-14-20(24(30)31-2)22(27)26(21)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(28)29/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,28,29)