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

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4O4/c1-14(19(25)21-11-12-27-2)28-20(26)16-9-7-15(8-10-16)13-24-18-6-4-3-5-17(18)22-23-24/h3-10,14H,11-13H2,1-2H3,(H,21,25)/t14-/m0/s1