(E)-6-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[4-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[4-[[(cyanoamino)-cyclohexyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[4-[(N-cyano-N'-cyclohexylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[4-[(N-cyano-N'-cyclohexyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(NC#N)NC2=CC=C(C=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)N=C(NC#N)NC2=CC=C(C=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C25H29N5O2/c26-18-28-25(29-21-8-2-1-3-9-21)30-22-14-12-19(13-15-22)23(10-4-5-11-24(31)32)20-7-6-16-27-17-20/h6-7,10,12-17,21H,1-5,8-9,11H2,(H,31,32)(H2,28,29,30)/b23-10+