2-[butyl-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]amino]ethanoic acid

Systemtic Name: 2-[butyl-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]amino]ethanoic acid Openeye Name: 2-[butyl-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]amino]acetic acid CAS Name: 2-[butyl-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]amino]acetic acid IUPAC Name: 2-[butyl-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]amino]acetic acid Traditional Name: 2-[[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]-butyl-amino]acetic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CCCCN(CC(=O)O)C1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H30N4O4/c1-2-3-10-26(13-20(27)28)17-7-5-16(6-8-17)25-22(29)19-12-15-11-14(21(23)24)4-9-18(15)30-19/h4,9,11-12,16-17H,2-3,5-8,10,13H2,1H3,(H3,23,24)(H,25,29)(H,27,28)