2-[2-[1-(4-chlorophenyl)-5-thiophen-2-yl-3H-2-benzofuran-1-yl]ethyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[1-(4-chlorophenyl)-5-thiophen-2-yl-3H-2-benzofuran-1-yl]ethyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-[1-(4-chlorophenyl)-5-(2-thienyl)-3H-isobenzofuran-1-yl]ethyl-methyl-amino]acetic acid CAS Name: 2-[2-[1-(4-chlorophenyl)-5-thiophen-2-yl-3H-isobenzofuran-1-yl]ethyl-methylamino]acetic acid IUPAC Name: 2-[2-[1-(4-chlorophenyl)-5-thiophen-2-yl-3H-2-benzofuran-1-yl]ethyl-methylamino]acetic acid Traditional Name: 2-[2-[1-(4-chlorophenyl)-5-(2-thienyl)phthalan-1-yl]ethyl-methyl-amino]acetic acid Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1(C2=C(CO1)C=C(C=C2)C3=CC=CS3)C4=CC=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

CN(CCC1(C2=C(CO1)C=C(C=C2)C3=CC=CS3)C4=CC=C(C=C4)Cl)CC(=O)O

InChI

InChI=1S/C23H22ClNO3S/c1-25(14-22(26)27)11-10-23(18-5-7-19(24)8-6-18)20-9-4-16(13-17(20)15-28-23)21-3-2-12-29-21/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,27)