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

Systemtic Name: (Z)-7-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (Z)-7-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (Z)-7-[3-[[(cyanoamino)-cyclopropyliminomethyl]amino]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (Z)-7-[3-[(N-cyano-N'-cyclopropylcarbamimidoyl)amino]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (Z)-7-[3-[(N-cyano-N'-cyclopropyl-amidino)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C(NC#N)NC2=CC=CC(=C2)C(=CCCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CC1N=C(NC#N)NC2=CC=CC(=C2)/C(=C/CCCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C23H25N5O2/c24-16-26-23(27-19-11-12-19)28-20-8-4-6-17(14-20)21(18-7-5-13-25-15-18)9-2-1-3-10-22(29)30/h4-9,13-15,19H,1-3,10-12H2,(H,29,30)(H2,26,27,28)/b21-9-