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

Systemtic Name: 4-[[5-[(4-cyclohexylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-cyclohexylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(4-cyclohexylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(4-cyclohexylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-cyclohexylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H27N3O3/c1-16-22(15-17-7-9-19(10-8-17)18-5-3-2-4-6-18)23(29)28-25(26-16)27-21-13-11-20(12-14-21)24(30)31/h7-14,18H,2-6,15H2,1H3,(H,30,31)(H2,26,27,28,29)