ethyl 2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]phenoxy]acetic acid ethyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C27H25N3O5/c1-2-33-23(31)16-34-20-11-9-19(10-12-20)30-27(32)25-24(26(28)29)21-15-18(8-13-22(21)35-25)14-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H3,28,29)(H,30,32)