(Z)-6-[3-[(N-cyano-N'-propan-2-yl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-propan-2-yl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-isopropyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-propan-2-yliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-propan-2-ylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-isopropyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-16(2)26-22(25-15-23)27-19-9-5-7-17(13-19)20(10-3-4-11-21(28)29)18-8-6-12-24-14-18/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,28,29)(H2,25,26,27)/b20-10-