octan-2-yl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate

Systemtic Name: octan-2-yl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate Openeye Name: 1-methylheptyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoate CAS Name: 3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate Traditional Name: 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionic acid 1-methylheptyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Isomeric SMILES

CCCCCCC(C)OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

InChI

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