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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCC1=CC(=CC(=C1)C2=CC=CC3=NN(N=C32)O)C(C)(C)C

Isomeric SMILES

CCCCCCC(C)OC(=O)CCC1=CC(=CC(=C1)C2=CC=CC3=NN(N=C32)O)C(C)(C)C

InChI

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