tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl-methyl-amino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-methylamino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(5-amidinobenzofuran-2-carbonyl)-methyl-amino]phenoxy]acetic acid tert-butyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)N(C)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)N(C)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C23H25N3O5/c1-23(2,3)31-20(27)13-29-17-8-6-16(7-9-17)26(4)22(28)19-12-15-11-14(21(24)25)5-10-18(15)30-19/h5-12H,13H2,1-4H3,(H3,24,25)