3-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[(4-keto-6-methyl-5-p-anisyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19N3O4/c1-12-17(10-13-6-8-16(27-2)9-7-13)18(24)23-20(21-12)22-15-5-3-4-14(11-15)19(25)26/h3-9,11H,10H2,1-2H3,(H,25,26)(H2,21,22,23,24)