tert-butyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate; 3-phenyloxiran-2-one

Systemtic Name: tert-butyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate; 3-phenyloxiran-2-one Openeye Name: tert-butyl 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]propanoate; 3-phenyloxiran-2-one CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]propanoic acid tert-butyl ester; 3-phenyl-2-oxiranone IUPAC Name: tert-butyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]propanoate; 3-phenyloxiran-2-one Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]propionic acid tert-butyl ester; 3-phenyloxiran-2-one Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)CCC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C23H31N3O4.C8H6O2/c1-23(2,3)30-20(27)11-6-14-4-8-17(9-5-14)26-22(28)19-13-16-12-15(21(24)25)7-10-18(16)29-19;9-8-7(10-8)6-4-2-1-3-5-6/h7,10,12-14,17H,4-6,8-9,11H2,1-3H3,(H3,24,25)(H,26,28);1-5,7H