ethyl (E)-7-(benzotriazol-2-yl)-7-[but-3-enyl-(phenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E)-7-(benzotriazol-2-yl)-7-[but-3-enyl-(phenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E)-7-(benzotriazol-2-yl)-7-[benzyl(but-3-enyl)amino]hept-2-enoate CAS Name: (E)-7-(2-benzotriazolyl)-7-[but-3-enyl-(phenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-(benzotriazol-2-yl)-7-[benzyl(but-3-enyl)amino]hept-2-enoate Traditional Name: (E)-7-(benzotriazol-2-yl)-7-[benzyl(but-3-enyl)amino]hept-2-enoic acid ethyl ester Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(N1N=C2C=CC=CC2=N1)N(CCC=C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/CCCC(N1N=C2C=CC=CC2=N1)N(CCC=C)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O2/c1-3-5-20-29(21-22-14-8-6-9-15-22)25(18-10-7-11-19-26(31)32-4-2)30-27-23-16-12-13-17-24(23)28-30/h3,6,8-9,11-17,19,25H,1,4-5,7,10,18,20-21H2,2H3/b19-11+