3-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-[[(3S)-3-methyl-1-piperidyl]methyl]benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-[[(3S)-3-methyl-1-piperidinyl]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-[[(3S)-3-methylpiperidino]methyl]coumarilic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=CC3=C(C=C2)OC(=C3C)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-11-4-3-7-18(9-11)10-13-5-6-15-14(8-13)12(2)16(21-15)17(19)20/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,20)/t11-/m0/s1