2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propanoic acid Openeye Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)-1-piperidyl]propanoic acid CAS Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)-1-piperidinyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propanoic acid Traditional Name: 2,2-dimethyl-3-[4-(6-methylindoxazen-3-yl)piperidino]propionic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NO2)C3CCN(CC3)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NO2)C3CCN(CC3)CC(C)(C)C(=O)O

InChI

InChI=1S/C18H24N2O3/c1-12-4-5-14-15(10-12)23-19-16(14)13-6-8-20(9-7-13)11-18(2,3)17(21)22/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,22)