[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H26N4O3/c1-16(22(28)24-19-7-3-2-4-8-19)30-23(29)18-13-11-17(12-14-18)15-27-21-10-6-5-9-20(21)25-26-27/h5-6,9-14,16,19H,2-4,7-8,15H2,1H3,(H,24,28)/t16-/m0/s1