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

Systemtic Name: 2-[[3-[1-azanyl-2-(4-chloranyl-1-benzofuran-7-yl)-2-oxidanylidene-ethyl]-4-methoxy-phenyl]methyl]butanoic acid Openeye Name: 2-[[3-[1-amino-2-(4-chlorobenzofuran-7-yl)-2-oxo-ethyl]-4-methoxy-phenyl]methyl]butanoic acid CAS Name: 2-[[3-[1-amino-2-(4-chloro-7-benzofuranyl)-2-oxoethyl]-4-methoxyphenyl]methyl]butanoic acid IUPAC Name: 2-[[3-[1-amino-2-(4-chloro-1-benzofuran-7-yl)-2-oxoethyl]-4-methoxyphenyl]methyl]butanoic acid Traditional Name: 2-[3-[1-amino-2-(4-chlorobenzofuran-7-yl)-2-keto-ethyl]-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)C(C(=O)C2=C3C(=C(C=C2)Cl)C=CO3)N)C(=O)O

Isomeric SMILES

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

InChI

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