5-(benzotriazol-2-yl)octyl 2-(4-hydroxyphenyl)-4,4-dimethyl-pentanoate

Systemtic Name: 5-(benzotriazol-2-yl)octyl 2-(4-hydroxyphenyl)-4,4-dimethyl-pentanoate Openeye Name: 5-(benzotriazol-2-yl)octyl 2-(4-hydroxyphenyl)-4,4-dimethyl-pentanoate CAS Name: 2-(4-hydroxyphenyl)-4,4-dimethylpentanoic acid 5-(2-benzotriazolyl)octyl ester IUPAC Name: 5-(benzotriazol-2-yl)octyl 2-(4-hydroxyphenyl)-4,4-dimethylpentanoate Traditional Name: 2-(4-hydroxyphenyl)-4,4-dimethyl-valeric acid 5-(benzotriazol-2-yl)octyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-5-10-21(30-28-24-12-6-7-13-25(24)29-30)11-8-9-18-33-26(32)23(19-27(2,3)4)20-14-16-22(31)17-15-20/h6-7,12-17,21,23,31H,5,8-11,18-19H2,1-4H3