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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-cyclohexyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-cyclohexylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(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=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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