3-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid Openeye Name: 3-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid CAS Name: 3-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethyl-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethylpyrrolidin-1-yl]propanoic acid Traditional Name: 3-[(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:

CC1(CC(=CC(=O)C2=CC=C(C=C2)C(C)(C)C)N(C1)CCC(=O)O)C

Isomeric SMILES

CC1(C/C(=C\C(=O)C2=CC=C(C=C2)C(C)(C)C)/N(C1)CCC(=O)O)C

InChI

InChI=1S/C21H29NO3/c1-20(2,3)16-8-6-15(7-9-16)18(23)12-17-13-21(4,5)14-22(17)11-10-19(24)25/h6-9,12H,10-11,13-14H2,1-5H3,(H,24,25)/b17-12+