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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-cyclopentyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-cyclopentyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-cyclopentyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-cyclopentylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-cyclopentyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(NC#N)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(C1)N=C(NC#N)NC2=CC=CC(=C2)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C24H27N5O2/c25-17-27-24(28-20-9-1-2-10-20)29-21-11-5-7-18(15-21)22(12-3-4-13-23(30)31)19-8-6-14-26-16-19/h5-8,11-12,14-16,20H,1-4,9-10,13H2,(H,30,31)(H2,27,28,29)/b22-12-