5-ethanoyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 5-ethanoyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 5-acetyl-2-[(1-tert-butoxycarbonylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 5-acetyl-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-acetyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 5-acetyl-2-[(1-tert-butoxycarbonylisonipecotoyl)amino]benzoic acid Formula: C20H26N2O6 MolecularWeight: 390.43024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H26N2O6/c1-12(23)14-5-6-16(15(11-14)18(25)26)21-17(24)13-7-9-22(10-8-13)19(27)28-20(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,21,24)(H,25,26)