[(R)-benzotriazol-1-yl(phenyl)methyl] (3S)-3,5,5-trimethylhexanoate

Systemtic Name: [(R)-benzotriazol-1-yl(phenyl)methyl] (3S)-3,5,5-trimethylhexanoate Openeye Name: [(R)-benzotriazol-1-yl(phenyl)methyl] (3S)-3,5,5-trimethylhexanoate CAS Name: (3S)-3,5,5-trimethylhexanoic acid [(R)-1-benzotriazolyl(phenyl)methyl] ester IUPAC Name: [(R)-benzotriazol-1-yl(phenyl)methyl] (3S)-3,5,5-trimethylhexanoate Traditional Name: (3S)-3,5,5-trimethylhexanoic acid [(R)-benzotriazol-1-yl(phenyl)methyl] ester Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-16(15-22(2,3)4)14-20(26)27-21(17-10-6-5-7-11-17)25-19-13-9-8-12-18(19)23-24-25/h5-13,16,21H,14-15H2,1-4H3/t16-,21-/m1/s1