2-[2,2-dimethyl-3-oxidanylidene-3-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propyl]-4,6-dimethyl-benzoic acid

Systemtic Name: 2-[2,2-dimethyl-3-oxidanylidene-3-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propyl]-4,6-dimethyl-benzoic acid Openeye Name: 2-[3-(4-benzyl-4-hydroxy-1-piperidyl)-2,2-dimethyl-3-oxo-propyl]-4,6-dimethyl-benzoic acid CAS Name: 2-[3-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid IUPAC Name: 2-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid Traditional Name: 2-[3-(4-benzyl-4-hydroxy-piperidino)-3-keto-2,2-dimethyl-propyl]-4,6-dimethyl-benzoic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C26H33NO4/c1-18-14-19(2)22(23(28)29)21(15-18)17-25(3,4)24(30)27-12-10-26(31,11-13-27)16-20-8-6-5-7-9-20/h5-9,14-15,31H,10-13,16-17H2,1-4H3,(H,28,29)