8-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]octanoic acid

Systemtic Name: 8-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]octanoic acid Openeye Name: 8-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenoxy]octanoic acid CAS Name: 8-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenoxy]octanoic acid IUPAC Name: 8-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]octanoic acid Traditional Name: 8-[4-[(E)-N'-carbobenzoxyamidino]phenoxy]caprylic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N=C(C2=CC=C(C=C2)OCCCCCCCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/N=C(\C2=CC=C(C=C2)OCCCCCCCC(=O)O)/N

InChI

InChI=1S/C23H28N2O5/c24-22(25-23(28)30-17-18-9-5-4-6-10-18)19-12-14-20(15-13-19)29-16-8-3-1-2-7-11-21(26)27/h4-6,9-10,12-15H,1-3,7-8,11,16-17H2,(H,26,27)(H2,24,25,28)