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

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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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

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

InChI

InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)