2-[3-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methyl-amino]butanoic acid

Systemtic Name: 2-[3-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methyl-amino]butanoic acid Openeye Name: 2-[3-[5-chloro-1-(2-thienyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]butanoic acid CAS Name: 2-[3-(5-chloro-1-thiophen-2-yl-3H-isobenzofuran-1-yl)propyl-methylamino]butanoic acid IUPAC Name: 2-[3-(5-chloro-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methylamino]butanoic acid Traditional Name: 2-[3-[5-chloro-1-(2-thienyl)phthalan-1-yl]propyl-methyl-amino]butyric acid Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C)CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

CCC(C(=O)O)N(C)CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C20H24ClNO3S/c1-3-17(19(23)24)22(2)10-5-9-20(18-6-4-11-26-18)16-8-7-15(21)12-14(16)13-25-20/h4,6-8,11-12,17H,3,5,9-10,13H2,1-2H3,(H,23,24)