4-[4-(2-hydroxyethyloxy)-3-(3-methyl-5-propan-2-yl-4-pyrrolidin-1-yl-phenyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(2-hydroxyethyloxy)-3-(3-methyl-5-propan-2-yl-4-pyrrolidin-1-yl-phenyl)phenyl]benzoic acid Openeye Name: 4-[4-(2-hydroxyethoxy)-3-(3-isopropyl-5-methyl-4-pyrrolidin-1-yl-phenyl)phenyl]benzoic acid CAS Name: 4-[4-(2-hydroxyethoxy)-3-[3-methyl-5-propan-2-yl-4-(1-pyrrolidinyl)phenyl]phenyl]benzoic acid IUPAC Name: 4-[4-(2-hydroxyethoxy)-3-(3-methyl-5-propan-2-yl-4-pyrrolidin-1-ylphenyl)phenyl]benzoic acid Traditional Name: 4-[4-(2-hydroxyethoxy)-3-(3-isopropyl-5-methyl-4-pyrrolidino-phenyl)phenyl]benzoic acid Formula: C29H33NO4 MolecularWeight: 459.57662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)C(C)C)N4CCCC4

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)C(C)C)N4CCCC4

InChI

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