2-[2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)ethyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)ethyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-(3,3-dimethyl-1-phenyl-isobenzofuran-1-yl)ethyl-methyl-amino]acetic acid CAS Name: 2-[2-(3,3-dimethyl-1-phenyl-1-isobenzofuranyl)ethyl-methylamino]acetic acid IUPAC Name: 2-[2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)ethyl-methylamino]acetic acid Traditional Name: 2-[2-(3,3-dimethyl-1-phenyl-phthalan-1-yl)ethyl-methyl-amino]acetic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CCN(C)CC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)(CCN(C)CC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25NO3/c1-20(2)17-11-7-8-12-18(17)21(25-20,16-9-5-4-6-10-16)13-14-22(3)15-19(23)24/h4-12H,13-15H2,1-3H3,(H,23,24)