ethyl (E)-7-(benzotriazol-1-yl)-7-[2-cyanoethyl-(phenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[2-cyanoethyl-(phenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[benzyl(2-cyanoethyl)amino]hept-2-enoate CAS Name: (E)-7-(1-benzotriazolyl)-7-[2-cyanoethyl-(phenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[benzyl(2-cyanoethyl)amino]hept-2-enoate Traditional Name: (E)-7-(benzotriazol-1-yl)-7-[benzyl(2-cyanoethyl)amino]hept-2-enoic acid ethyl ester Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(N1C2=CC=CC=C2N=N1)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/CCCC(N1C2=CC=CC=C2N=N1)N(CCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C25H29N5O2/c1-2-32-25(31)17-8-4-7-16-24(30-23-15-10-9-14-22(23)27-28-30)29(19-11-18-26)20-21-12-5-3-6-13-21/h3,5-6,8-10,12-15,17,24H,2,4,7,11,16,19-20H2,1H3/b17-8+