ethyl (E)-4-[1-(benzotriazol-1-ylmethyl)piperidin-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[1-(benzotriazol-1-ylmethyl)piperidin-2-yl]but-2-enoate Openeye Name: ethyl (E)-4-[1-(benzotriazol-1-ylmethyl)-2-piperidyl]but-2-enoate CAS Name: (E)-4-[1-(1-benzotriazolylmethyl)-2-piperidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[1-(benzotriazol-1-ylmethyl)piperidin-2-yl]but-2-enoate Traditional Name: (E)-4-[1-(benzotriazol-1-ylmethyl)-2-piperidyl]but-2-enoic acid ethyl ester Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1CCCCN1CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)/C=C/CC1CCCCN1CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H24N4O2/c1-2-24-18(23)12-7-9-15-8-5-6-13-21(15)14-22-17-11-4-3-10-16(17)19-20-22/h3-4,7,10-12,15H,2,5-6,8-9,13-14H2,1H3/b12-7+