5-[[(2S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid CAS Name: 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2S)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-2-yl]methoxymethyl]-2-furoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2[C@@H](CCC2=O)COCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C21H25NO5/c1-21(2,3)14-4-6-15(7-5-14)22-16(8-11-19(22)23)12-26-13-17-9-10-18(27-17)20(24)25/h4-7,9-10,16H,8,11-13H2,1-3H3,(H,24,25)/t16-/m0/s1