3-[3-[1-(4-tert-butylphenyl)-6-oxidanylidene-piperidin-2-yl]propoxy]propanoic acid

Systemtic Name: 3-[3-[1-(4-tert-butylphenyl)-6-oxidanylidene-piperidin-2-yl]propoxy]propanoic acid Openeye Name: 3-[3-[1-(4-tert-butylphenyl)-6-oxo-2-piperidyl]propoxy]propanoic acid CAS Name: 3-[3-[1-(4-tert-butylphenyl)-6-oxo-2-piperidinyl]propoxy]propanoic acid IUPAC Name: 3-[3-[1-(4-tert-butylphenyl)-6-oxopiperidin-2-yl]propoxy]propanoic acid Traditional Name: 3-[3-[1-(4-tert-butylphenyl)-6-keto-2-piperidyl]propoxy]propionic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)CCCOCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)CCCOCCC(=O)O

InChI

InChI=1S/C21H31NO4/c1-21(2,3)16-9-11-18(12-10-16)22-17(6-4-8-19(22)23)7-5-14-26-15-13-20(24)25/h9-12,17H,4-8,13-15H2,1-3H3,(H,24,25)