2-[(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-pyridin-2-yl-propanoic acid

Systemtic Name: 2-[(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-pyridin-2-yl-propanoic acid Openeye Name: 2-[(1-methylspiro[1H-isobenzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(2-pyridyl)propanoic acid CAS Name: 2-[(1-methyl-1'-spiro[1H-isobenzofuran-3,4'-piperidine]yl)methyl]-3-(2-pyridinyl)propanoic acid IUPAC Name: 2-[(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-pyridin-2-ylpropanoic acid Traditional Name: 2-[(3-methylspiro[phthalan-1,4'-piperidine]-1'-yl)methyl]-3-(2-pyridyl)propionic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C3(O1)CCN(CC3)CC(CC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2C3(O1)CCN(CC3)CC(CC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-16-19-7-2-3-8-20(19)22(27-16)9-12-24(13-10-22)15-17(21(25)26)14-18-6-4-5-11-23-18/h2-8,11,16-17H,9-10,12-15H2,1H3,(H,25,26)