ethyl (E)-5-[benzotriazol-1-ylmethyl-(phenylmethyl)amino]-5-pyridin-3-yl-pent-2-enoate

Systemtic Name: ethyl (E)-5-[benzotriazol-1-ylmethyl-(phenylmethyl)amino]-5-pyridin-3-yl-pent-2-enoate Openeye Name: ethyl (E)-5-[benzotriazol-1-ylmethyl(benzyl)amino]-5-(3-pyridyl)pent-2-enoate CAS Name: (E)-5-[1-benzotriazolylmethyl-(phenylmethyl)amino]-5-(3-pyridinyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-[benzotriazol-1-ylmethyl(benzyl)amino]-5-pyridin-3-ylpent-2-enoate Traditional Name: (E)-5-[benzotriazol-1-ylmethyl(benzyl)amino]-5-(3-pyridyl)pent-2-enoic acid ethyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(C1=CN=CC=C1)N(CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)/C=C/CC(C1=CN=CC=C1)N(CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H27N5O2/c1-2-33-26(32)16-8-15-24(22-12-9-17-27-18-22)30(19-21-10-4-3-5-11-21)20-31-25-14-7-6-13-23(25)28-29-31/h3-14,16-18,24H,2,15,19-20H2,1H3/b16-8+