4-[3-[2-(2-oxidanylcyclohexyl)benzotriazol-4-yl]phenyl]butanoic acid

Systemtic Name: 4-[3-[2-(2-oxidanylcyclohexyl)benzotriazol-4-yl]phenyl]butanoic acid Openeye Name: 4-[3-[2-(2-hydroxycyclohexyl)benzotriazol-4-yl]phenyl]butanoic acid CAS Name: 4-[3-[2-(2-hydroxycyclohexyl)-4-benzotriazolyl]phenyl]butanoic acid IUPAC Name: 4-[3-[2-(2-hydroxycyclohexyl)benzotriazol-4-yl]phenyl]butanoic acid Traditional Name: 4-[3-[2-(2-hydroxycyclohexyl)benzotriazol-4-yl]phenyl]butyric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2N=C3C=CC=C(C3=N2)C4=CC(=CC=C4)CCCC(=O)O)O

Isomeric SMILES

C1CCC(C(C1)N2N=C3C=CC=C(C3=N2)C4=CC(=CC=C4)CCCC(=O)O)O

InChI

InChI=1S/C22H25N3O3/c26-20-12-2-1-11-19(20)25-23-18-10-5-9-17(22(18)24-25)16-8-3-6-15(14-16)7-4-13-21(27)28/h3,5-6,8-10,14,19-20,26H,1-2,4,7,11-13H2,(H,27,28)