butan-1-amine; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoate

Systemtic Name: butan-1-amine; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoate Openeye Name: butan-1-amine; cyclohexyl 2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]acetate CAS Name: 1-butanamine; 2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]acetic acid cyclohexyl ester IUPAC Name: butan-1-amine; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]acetic acid cyclohexyl ester; butylamine Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.C1CCC(CC1)OC(=O)CNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CCCCN.C1CCC(CC1)OC(=O)CNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C18H21N3O4.C4H11N/c19-17(20)11-6-7-14-12(8-11)9-15(25-14)18(23)21-10-16(22)24-13-4-2-1-3-5-13;1-2-3-4-5/h6-9,13H,1-5,10H2,(H3,19,20)(H,21,23);2-5H2,1H3