2,3-bis(azanyl)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1-benzofuran-7-carboxylic acid

Systemtic Name: 2,3-bis(azanyl)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1-benzofuran-7-carboxylic acid Openeye Name: 2,3-diamino-4-tert-butoxycarbonyl-3-ethyl-2-phenyl-benzofuran-7-carboxylic acid CAS Name: 2,3-diamino-3-ethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-7-benzofurancarboxylic acid IUPAC Name: 2,3-diamino-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1-benzofuran-7-carboxylic acid Traditional Name: 2,3-diamino-4-tert-butoxycarbonyl-3-ethyl-2-phenyl-coumaran-7-carboxylic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2OC1(C3=CC=CC=C3)N)C(=O)O)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCC1(C2=C(C=CC(=C2OC1(C3=CC=CC=C3)N)C(=O)O)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H26N2O5/c1-5-21(23)16-14(19(27)29-20(2,3)4)11-12-15(18(25)26)17(16)28-22(21,24)13-9-7-6-8-10-13/h6-12H,5,23-24H2,1-4H3,(H,25,26)