4-[3-[3-tert-butyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-(2-hydroxyethyloxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(2-ketopyrrolidino)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4=O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4=O

InChI

InChI=1S/C29H31NO5/c1-29(2,3)24-18-22(10-12-25(24)30-14-4-5-27(30)32)23-17-21(11-13-26(23)35-16-15-31)19-6-8-20(9-7-19)28(33)34/h6-13,17-18,31H,4-5,14-16H2,1-3H3,(H,33,34)