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

Systemtic Name: 4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]butanoic acid Openeye Name: 4-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenoxy]butanoic acid CAS Name: 4-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]butanoic acid Traditional Name: 4-[4-[(E)-N'-carbobenzoxyamidino]phenoxy]butyric acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c20-18(21-19(24)26-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)25-12-4-7-17(22)23/h1-3,5-6,8-11H,4,7,12-13H2,(H,22,23)(H2,20,21,24)