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

Systemtic Name: 2-[3-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methyl-amino]propanoic acid Openeye Name: 2-[3-[5-chloro-1-(2-thienyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]propanoic acid CAS Name: 2-[3-(5-chloro-1-thiophen-2-yl-3H-isobenzofuran-1-yl)propyl-methylamino]propanoic acid IUPAC Name: 2-[3-(5-chloro-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methylamino]propanoic acid Traditional Name: 2-[3-[5-chloro-1-(2-thienyl)phthalan-1-yl]propyl-methyl-amino]propionic acid Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3S/c1-13(18(22)23)21(2)9-4-8-19(17-5-3-10-25-17)16-7-6-15(20)11-14(16)12-24-19/h3,5-7,10-11,13H,4,8-9,12H2,1-2H3,(H,22,23)