(Z)-8-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-8-pyridin-3-yl-oct-7-enoic acid

Systemtic Name: (Z)-8-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-8-pyridin-3-yl-oct-7-enoic acid Openeye Name: (Z)-8-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-8-(3-pyridyl)oct-7-enoic acid CAS Name: (Z)-8-[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-8-(3-pyridinyl)-7-octenoic acid IUPAC Name: (Z)-8-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-8-pyridin-3-yloct-7-enoic acid Traditional Name: (Z)-8-[3-[(N'-tert-butyl-N-cyano-amidino)amino]phenyl]-8-(3-pyridyl)oct-7-enoic acid Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-25(2,3)30-24(28-18-26)29-21-12-8-10-19(16-21)22(20-11-9-15-27-17-20)13-6-4-5-7-14-23(31)32/h8-13,15-17H,4-7,14H2,1-3H3,(H,31,32)(H2,28,29,30)/b22-13-