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

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-phenethyl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-phenethyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-phenethyliminomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-phenethylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-phenethyl-amidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C(NC#N)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN=C(NC#N)NC2=CC=CC(=C2)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C27H27N5O2/c28-20-31-27(30-17-15-21-8-2-1-3-9-21)32-24-12-6-10-22(18-24)25(13-4-5-14-26(33)34)23-11-7-16-29-19-23/h1-3,6-13,16,18-19H,4-5,14-15,17H2,(H,33,34)(H2,30,31,32)/b25-13-