octyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-4-(phenylmethyl)phenyl]propanoate

Systemtic Name: octyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-4-(phenylmethyl)phenyl]propanoate Openeye Name: octyl 3-[4-benzyl-3-(5-chlorobenzotriazol-2-yl)-5-methyl-phenyl]propanoate CAS Name: 3-[3-(5-chloro-2-benzotriazolyl)-5-methyl-4-(phenylmethyl)phenyl]propanoic acid octyl ester IUPAC Name: octyl 3-[4-benzyl-3-(5-chlorobenzotriazol-2-yl)-5-methylphenyl]propanoate Traditional Name: 3-[4-benzyl-3-(5-chlorobenzotriazol-2-yl)-5-methyl-phenyl]propionic acid octyl ester Formula: C31H36ClN3O2 MolecularWeight: 518.08944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)CC4=CC=CC=C4)C

InChI

InChI=1S/C31H36ClN3O2/c1-3-4-5-6-7-11-18-37-31(36)17-14-25-19-23(2)27(20-24-12-9-8-10-13-24)30(21-25)35-33-28-16-15-26(32)22-29(28)34-35/h8-10,12-13,15-16,19,21-22H,3-7,11,14,17-18,20H2,1-2H3