3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]propanoic acid CAS Name: 3-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(E)-N'-carbobenzoxyamidino]phenyl]propionic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c19-17(15-9-6-13(7-10-15)8-11-16(21)22)20-18(23)24-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,21,22)(H2,19,20,23)