3-(4-butyl-2-oxidanylidene-pyrimidin-1-yl)-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-(4-butyl-2-oxidanylidene-pyrimidin-1-yl)-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-(4-butyl-2-oxo-pyrimidin-1-yl)-2-methyl-6-phenyl-benzoic acid CAS Name: 3-(4-butyl-2-oxo-1-pyrimidinyl)-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-(4-butyl-2-oxopyrimidin-1-yl)-2-methyl-6-phenylbenzoic acid Traditional Name: 3-(4-butyl-2-keto-pyrimidin-1-yl)-2-methyl-6-phenyl-benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(C=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCC1=NC(=O)N(C=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O3/c1-3-4-10-17-13-14-24(22(27)23-17)19-12-11-18(16-8-6-5-7-9-16)20(15(19)2)21(25)26/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,26)