(Z)-6-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N-cyano-N'-cyclopropyl-carbamimidoyl)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(cyanoamino)-cyclopropyliminomethyl]amino]-4-methylphenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N-cyano-N'-cyclopropylcarbamimidoyl)amino]-4-methylphenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N-cyano-N'-cyclopropyl-amidino)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=CCCCC(=O)O)C2=CN=CC=C2)NC(=NC3CC3)NC#N

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C/CCCC(=O)O)/C2=CN=CC=C2)NC(=NC3CC3)NC#N

InChI

InChI=1S/C23H25N5O2/c1-16-8-9-17(13-21(16)28-23(26-15-24)27-19-10-11-19)20(6-2-3-7-22(29)30)18-5-4-12-25-14-18/h4-6,8-9,12-14,19H,2-3,7,10-11H2,1H3,(H,29,30)(H2,26,27,28)/b20-6-