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

Systemtic Name: ethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate; 3-phenyloxiran-2-one Openeye Name: ethyl 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 ethyl ester; 3-phenyl-2-oxiranone IUPAC Name: ethyl 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 ethyl ester; 3-phenyloxiran-2-one Formula: C29H33N3O6 MolecularWeight: 519.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C21H27N3O4.C8H6O2/c1-2-27-19(25)10-5-13-3-7-16(8-4-13)24-21(26)18-12-15-11-14(20(22)23)6-9-17(15)28-18;9-8-7(10-8)6-4-2-1-3-5-6/h6,9,11-13,16H,2-5,7-8,10H2,1H3,(H3,22,23)(H,24,26);1-5,7H