2-methyl-3-[4-(phenylmethyl)piperidin-1-yl]propanoic acid

Systemtic Name: 2-methyl-3-[4-(phenylmethyl)piperidin-1-yl]propanoic acid Openeye Name: 3-(4-benzyl-1-piperidyl)-2-methyl-propanoic acid CAS Name: 2-methyl-3-[4-(phenylmethyl)-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid Traditional Name: 3-(4-benzylpiperidino)-2-methyl-propionic acid Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CN1CCC(CC1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H23NO2/c1-13(16(18)19)12-17-9-7-15(8-10-17)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19)