butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]ethanoate

Systemtic Name: butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]ethanoate Openeye Name: butyl 2-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]acetic acid butyl ester IUPAC Name: butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]acetate Traditional Name: 2-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]acetic acid butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CCCCOC(=O)CC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H29N3O4/c1-2-3-10-28-20(26)11-14-4-7-17(8-5-14)25-22(27)19-13-16-12-15(21(23)24)6-9-18(16)29-19/h6,9,12-14,17H,2-5,7-8,10-11H2,1H3,(H3,23,24)(H,25,27)