tert-butyl carbamate; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoate

Systemtic Name: tert-butyl carbamate; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]ethanoate Openeye Name: tert-butyl carbamate; cyclohexyl 2-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]acetate CAS Name: carbamic acid tert-butyl ester; 2-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]acetic acid cyclohexyl ester IUPAC Name: tert-butyl carbamate; cyclohexyl 2-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-amidinobenzofuran-2-carbonyl)amino]acetic acid cyclohexyl ester; carbamic acid tert-butyl ester Formula: C23H32N4O6 MolecularWeight: 460.52338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4.C5H11NO2/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;1-5(2,3)8-4(6)7/h6-9,13H,1-5,10H2,(H3,19,20)(H,21,23);1-3H3,(H2,6,7)