methyl 3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[(2S)-2-methylpiperidino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

InChI

InChI=1S/C16H20N4O4/c1-11-5-3-4-8-19(11)15(21)10-24-20-14-9-12(16(22)23-2)6-7-13(14)17-18-20/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1