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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-pentyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-pentyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-pentyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-pentylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N'-amyl-N-cyano-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-2-3-6-15-27-24(28-18-25)29-21-11-7-9-19(16-21)22(12-4-5-13-23(30)31)20-10-8-14-26-17-20/h7-12,14,16-17H,2-6,13,15H2,1H3,(H,30,31)(H2,27,28,29)/b22-12-