[(R)-benzotriazol-1-yl-(4-methylphenyl)methyl] 4-chloranylbutanoate

Systemtic Name: [(R)-benzotriazol-1-yl-(4-methylphenyl)methyl] 4-chloranylbutanoate Openeye Name: [(R)-benzotriazol-1-yl(p-tolyl)methyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [(R)-1-benzotriazolyl-(4-methylphenyl)methyl] ester IUPAC Name: [(R)-benzotriazol-1-yl-(4-methylphenyl)methyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [(R)-benzotriazol-1-yl(p-tolyl)methyl] ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(N2C3=CC=CC=C3N=N2)OC(=O)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](N2C3=CC=CC=C3N=N2)OC(=O)CCCCl

InChI

InChI=1S/C18H18ClN3O2/c1-13-8-10-14(11-9-13)18(24-17(23)7-4-12-19)22-16-6-3-2-5-15(16)20-21-22/h2-3,5-6,8-11,18H,4,7,12H2,1H3/t18-/m1/s1