4-[1-[3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]piperidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[1-[3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]piperidin-4-yl]oxybenzoic acid Openeye Name: 4-[[1-[2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-piperidyl]oxy]benzoic acid CAS Name: 4-[[1-[3,3-dimethyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-4-piperidinyl]oxy]benzoic acid IUPAC Name: 4-[1-[3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]piperidin-4-yl]oxybenzoic acid Traditional Name: 4-[[1-[2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-piperidyl]oxy]benzoic acid Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O6/c1-26(2,3)22(27-25(32)33-17-18-7-5-4-6-8-18)23(29)28-15-13-21(14-16-28)34-20-11-9-19(10-12-20)24(30)31/h4-12,21-22H,13-17H2,1-3H3,(H,27,32)(H,30,31)