[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-[(3S,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C23H26N4O3/c1-16-11-17(2)13-26(12-16)22(28)15-30-23(29)19-9-7-18(8-10-19)14-27-21-6-4-3-5-20(21)24-25-27/h3-10,16-17H,11-15H2,1-2H3/t16-,17+