3-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-3-(4-methoxyphenyl)isoxazole-4-carboxylic acid CAS Name: 3-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(1-tert-butoxycarbonyl-4-piperidyl)-3-(4-methoxyphenyl)isoxazole-4-carboxylic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=NO2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=NO2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H26N2O6/c1-21(2,3)28-20(26)23-11-9-14(10-12-23)18-16(19(24)25)17(22-29-18)13-5-7-15(27-4)8-6-13/h5-8,14H,9-12H2,1-4H3,(H,24,25)