3-[3-(4-tert-butylphenoxy)-2-oxidanylidene-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-tert-butylphenoxy)-2-oxidanylidene-pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-tert-butylphenoxy)-2-oxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(4-tert-butylphenoxy)-2-oxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(4-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(4-tert-butylphenoxy)-2-keto-pyrrolidino]benzoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H23NO4/c1-21(2,3)15-7-9-17(10-8-15)26-18-11-12-22(19(18)23)16-6-4-5-14(13-16)20(24)25/h4-10,13,18H,11-12H2,1-3H3,(H,24,25)