(E)-6-[3-[(N'-cyclopentylcarbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[3-[(N'-cyclopentylcarbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[3-[(N'-cyclopentylcarbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[3-[[amino(cyclopentylimino)methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[3-[(N'-cyclopentylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[3-[(N'-cyclopentylamidino)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(C1)N=C(N)NC2=CC=CC(=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C23H28N4O2/c24-23(26-19-9-1-2-10-19)27-20-11-5-7-17(15-20)21(12-3-4-13-22(28)29)18-8-6-14-25-16-18/h5-8,11-12,14-16,19H,1-4,9-10,13H2,(H,28,29)(H3,24,26,27)/b21-12+