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

Systemtic Name: (Z)-6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]-4-methyl-phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[tert-butylimino-(cyanoamino)methyl]amino]-4-methylphenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]-4-methylphenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(N'-tert-butyl-N-cyano-amidino)amino]-4-methyl-phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-17-11-12-18(14-21(17)28-23(27-16-25)29-24(2,3)4)20(9-5-6-10-22(30)31)19-8-7-13-26-15-19/h7-9,11-15H,5-6,10H2,1-4H3,(H,30,31)(H2,27,28,29)/b20-9-