6-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]hexanoic acid

Systemtic Name: 6-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]hexanoic acid Openeye Name: 6-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenoxy]hexanoic acid CAS Name: 6-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenoxy]hexanoic acid IUPAC Name: 6-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]hexanoic acid Traditional Name: 6-[4-[(E)-N'-carbobenzoxyamidino]phenoxy]hexanoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c22-20(23-21(26)28-15-16-7-3-1-4-8-16)17-10-12-18(13-11-17)27-14-6-2-5-9-19(24)25/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,24,25)(H2,22,23,26)