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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-cycloheptyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-cycloheptyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-cycloheptyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-cycloheptylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-cycloheptyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N=C(NC#N)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCCC(CC1)N=C(NC#N)NC2=CC=CC(=C2)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

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