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

Systemtic Name: 2-[2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)ethyl-methyl-amino]butanoic acid Openeye Name: 2-[2-(3,3-dimethyl-1-phenyl-isobenzofuran-1-yl)ethyl-methyl-amino]butanoic acid CAS Name: 2-[2-(3,3-dimethyl-1-phenyl-1-isobenzofuranyl)ethyl-methylamino]butanoic acid IUPAC Name: 2-[2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)ethyl-methylamino]butanoic acid Traditional Name: 2-[2-(3,3-dimethyl-1-phenyl-phthalan-1-yl)ethyl-methyl-amino]butyric acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C)CCC1(C2=CC=CC=C2C(O1)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)N(C)CCC1(C2=CC=CC=C2C(O1)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-5-20(21(25)26)24(4)16-15-23(17-11-7-6-8-12-17)19-14-10-9-13-18(19)22(2,3)27-23/h6-14,20H,5,15-16H2,1-4H3,(H,25,26)