2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[1-(4-fluorophenyl)-3,3-dimethyl-isobenzothiophen-1-yl]propyl-methyl-amino]acetic acid Formula: C22H26FNO2S MolecularWeight: 387.510743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FNO2S/c1-21(2)18-7-4-5-8-19(18)22(27-21,16-9-11-17(23)12-10-16)13-6-14-24(3)15-20(25)26/h4-5,7-12H,6,13-15H2,1-3H3,(H,25,26)