(Z)-7-[3-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (Z)-7-[3-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (Z)-7-[3-[(N-cyano-N'-cyclohexyl-carbamimidoyl)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (Z)-7-[3-[[(cyanoamino)-cyclohexyliminomethyl]amino]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (Z)-7-[3-[(N-cyano-N'-cyclohexylcarbamimidoyl)amino]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (Z)-7-[3-[(N-cyano-N'-cyclohexyl-amidino)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c27-19-29-26(30-22-11-3-1-4-12-22)31-23-13-7-9-20(17-23)24(21-10-8-16-28-18-21)14-5-2-6-15-25(32)33/h7-10,13-14,16-18,22H,1-6,11-12,15H2,(H,32,33)(H2,29,30,31)/b24-14-