methyl 3-[3-(benzotriazol-2-yl)-4-oxidanyl-5-pentyl-phenyl]propanoate

Systemtic Name: methyl 3-[3-(benzotriazol-2-yl)-4-oxidanyl-5-pentyl-phenyl]propanoate Openeye Name: methyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-pentyl-phenyl]propanoate CAS Name: 3-[3-(2-benzotriazolyl)-4-hydroxy-5-pentylphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-pentylphenyl]propanoate Traditional Name: 3-[3-amyl-5-(benzotriazol-2-yl)-4-hydroxy-phenyl]propionic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCCCCC1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C21H25N3O3/c1-3-4-5-8-16-13-15(11-12-20(25)27-2)14-19(21(16)26)24-22-17-9-6-7-10-18(17)23-24/h6-7,9-10,13-14,26H,3-5,8,11-12H2,1-2H3