3-[3-(benzotriazol-2-yl)-5-cyclohexyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-(benzotriazol-2-yl)-5-cyclohexyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(benzotriazol-2-yl)-5-cyclohexyl-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-(2-benzotriazolyl)-5-cyclohexyl-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-(benzotriazol-2-yl)-5-cyclohexyl-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(benzotriazol-2-yl)-5-cyclohexyl-4-hydroxy-phenyl]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC(=C2O)N3N=C4C=CC=CC4=N3)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC(=C2O)N3N=C4C=CC=CC4=N3)CCC(=O)O

InChI

InChI=1S/C21H23N3O3/c25-20(26)11-10-14-12-16(15-6-2-1-3-7-15)21(27)19(13-14)24-22-17-8-4-5-9-18(17)23-24/h4-5,8-9,12-13,15,27H,1-3,6-7,10-11H2,(H,25,26)