4-[3-(3-tert-butyl-5-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid

Systemtic Name: 4-[3-(3-tert-butyl-5-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-5-chloro-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C29H32ClNO4 MolecularWeight: 494.02168

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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)Cl)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)Cl)N4CCCC4

InChI

InChI=1S/C29H32ClNO4/c1-29(2,3)24-17-22(18-25(30)27(24)31-12-4-5-13-31)23-16-21(10-11-26(23)35-15-14-32)19-6-8-20(9-7-19)28(33)34/h6-11,16-18,32H,4-5,12-15H2,1-3H3,(H,33,34)