2-[2-[3-(benzotriazol-2-yl)-5-butyl-4-oxidanyl-phenyl]propyl]octanoic acid

Systemtic Name: 2-[2-[3-(benzotriazol-2-yl)-5-butyl-4-oxidanyl-phenyl]propyl]octanoic acid Openeye Name: 2-[2-[3-(benzotriazol-2-yl)-5-butyl-4-hydroxy-phenyl]propyl]octanoic acid CAS Name: 2-[2-[3-(2-benzotriazolyl)-5-butyl-4-hydroxyphenyl]propyl]octanoic acid IUPAC Name: 2-[2-[3-(benzotriazol-2-yl)-5-butyl-4-hydroxyphenyl]propyl]octanoic acid Traditional Name: 2-[2-[3-(benzotriazol-2-yl)-5-butyl-4-hydroxy-phenyl]propyl]caprylic acid Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CCCC)C(=O)O

Isomeric SMILES

CCCCCCC(CC(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CCCC)C(=O)O

InChI

InChI=1S/C27H37N3O3/c1-4-6-8-9-13-21(27(32)33)16-19(3)22-17-20(12-7-5-2)26(31)25(18-22)30-28-23-14-10-11-15-24(23)29-30/h10-11,14-15,17-19,21,31H,4-9,12-13,16H2,1-3H3,(H,32,33)