(Z)-7-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (Z)-7-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (Z)-7-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (Z)-7-[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (Z)-7-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (Z)-7-[3-[(N'-tert-butyl-N-cyano-amidino)amino]phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-24(2,3)29-23(27-17-25)28-20-11-7-9-18(15-20)21(19-10-8-14-26-16-19)12-5-4-6-13-22(30)31/h7-12,14-16H,4-6,13H2,1-3H3,(H,30,31)(H2,27,28,29)/b21-12-