2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-5-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-5-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-2-ethyl-5-oxo-5-phenyl-pentanoic acid CAS Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-2-ethyl-5-oxo-5-phenylpentanoic acid IUPAC Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-5-oxo-5-phenylpentanoic acid Traditional Name: 2-(5-amidinocoumaran-3-yl)-2-ethyl-5-keto-5-phenyl-valeric acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=CC=CC=C1)(C2COC3=C2C=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCC(CCC(=O)C1=CC=CC=C1)(C2COC3=C2C=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-2-22(21(26)27,11-10-18(25)14-6-4-3-5-7-14)17-13-28-19-9-8-15(20(23)24)12-16(17)19/h3-9,12,17H,2,10-11,13H2,1H3,(H3,23,24)(H,26,27)