4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]propoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]propoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[1-[(1-tert-butoxycarbonylpiperidine-4-carbonyl)amino]propoxy]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[1-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]propoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]propoxy]benzoic acid Traditional Name: 4-[1-[(1-tert-butoxycarbonylisonipecotoyl)amino]propoxy]-2-hydroxy-benzoic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CCC(NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H30N2O7/c1-5-17(29-14-6-7-15(19(26)27)16(24)12-14)22-18(25)13-8-10-23(11-9-13)20(28)30-21(2,3)4/h6-7,12-13,17,24H,5,8-11H2,1-4H3,(H,22,25)(H,26,27)