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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-methyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-methyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-22-20(24-14-21)25-17-8-4-6-15(12-17)18(9-2-3-10-19(26)27)16-7-5-11-23-13-16/h4-9,11-13H,2-3,10H2,1H3,(H,26,27)(H2,22,24,25)/b18-9-