5-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-2-(methylamino)pentanoic acid

Systemtic Name: 5-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-2-(methylamino)pentanoic acid Openeye Name: 5-(3,3-dimethyl-1-phenyl-isobenzofuran-1-yl)-2-(methylamino)pentanoic acid CAS Name: 5-(3,3-dimethyl-1-phenyl-1-isobenzofuranyl)-2-(methylamino)pentanoic acid IUPAC Name: 5-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-2-(methylamino)pentanoic acid Traditional Name: 5-(3,3-dimethyl-1-phenyl-phthalan-1-yl)-2-(methylamino)valeric acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CCCC(C(=O)O)NC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)(CCCC(C(=O)O)NC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27NO3/c1-21(2)17-12-7-8-13-18(17)22(26-21,16-10-5-4-6-11-16)15-9-14-19(23-3)20(24)25/h4-8,10-13,19,23H,9,14-15H2,1-3H3,(H,24,25)