dimethyl (E)-2-(benzotriazol-1-yl)-3-(piperidin-1-ylmethyl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(piperidin-1-ylmethyl)but-2-enedioate Openeye Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(1-piperidylmethyl)but-2-enedioate CAS Name: (E)-2-(1-benzotriazolyl)-3-(1-piperidinylmethyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(piperidin-1-ylmethyl)but-2-enedioate Traditional Name: (E)-2-(benzotriazol-1-yl)-3-(piperidinomethyl)but-2-enedioic acid dimethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)N1C2=CC=CC=C2N=N1)CN3CCCCC3

Isomeric SMILES

COC(=O)/C(=C(\C(=O)OC)/N1C2=CC=CC=C2N=N1)/CN3CCCCC3

InChI

InChI=1S/C18H22N4O4/c1-25-17(23)13(12-21-10-6-3-7-11-21)16(18(24)26-2)22-15-9-5-4-8-14(15)19-20-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3/b16-13+