2-[[3-[[(4-chloranyl-1-benzofuran-7-yl)carbonylamino]methyl]-4-methoxy-phenyl]methyl]butanoic acid

Systemtic Name: 2-[[3-[[(4-chloranyl-1-benzofuran-7-yl)carbonylamino]methyl]-4-methoxy-phenyl]methyl]butanoic acid Openeye Name: 2-[[3-[[(4-chlorobenzofuran-7-carbonyl)amino]methyl]-4-methoxy-phenyl]methyl]butanoic acid CAS Name: 2-[[3-[[[(4-chloro-7-benzofuranyl)-oxomethyl]amino]methyl]-4-methoxyphenyl]methyl]butanoic acid IUPAC Name: 2-[[3-[[(4-chloro-1-benzofuran-7-carbonyl)amino]methyl]-4-methoxyphenyl]methyl]butanoic acid Traditional Name: 2-[3-[[(4-chlorobenzofuran-7-carbonyl)amino]methyl]-4-methoxy-benzyl]butyric acid Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=C3C(=C(C=C2)Cl)C=CO3)C(=O)O

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=C3C(=C(C=C2)Cl)C=CO3)C(=O)O

InChI

InChI=1S/C22H22ClNO5/c1-3-14(22(26)27)10-13-4-7-19(28-2)15(11-13)12-24-21(25)17-5-6-18(23)16-8-9-29-20(16)17/h4-9,11,14H,3,10,12H2,1-2H3,(H,24,25)(H,26,27)