(E)-6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-2-enoic acid

Systemtic Name: (E)-6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-2-enoic acid Openeye Name: (E)-6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-2-enoic acid CAS Name: (E)-6-[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-6-(3-pyridinyl)-2-hexenoic acid IUPAC Name: (E)-6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-2-enoic acid Traditional Name: (E)-6-[3-[(N'-tert-butyl-N-cyano-amidino)amino]phenyl]-6-(3-pyridyl)hex-2-enoic acid Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)C(CCC=CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)C(CC/C=C/C(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h5-10,12-15,20H,4,11H2,1-3H3,(H,29,30)(H2,26,27,28)/b12-5+