2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid CAS Name: 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethyl-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethylpyrrolidin-1-yl]propanoic acid Traditional Name: 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-keto-ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CC(CC1=CC(=O)C2=CC=C(C=C2)C(C)(C)C)(C)C

Isomeric SMILES

CC(C(=O)O)N\1CC(C/C1=C\C(=O)C2=CC=C(C=C2)C(C)(C)C)(C)C

InChI

InChI=1S/C21H29NO3/c1-14(19(24)25)22-13-21(5,6)12-17(22)11-18(23)15-7-9-16(10-8-15)20(2,3)4/h7-11,14H,12-13H2,1-6H3,(H,24,25)/b17-11+