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

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-propanoyloxyethoxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-propanoyloxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-[2-(1-oxopropoxy)ethoxy]phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-propanoyloxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(2-propionyloxyethoxy)phenyl]benzoic acid Formula: C32H37NO5 MolecularWeight: 515.63988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

Isomeric SMILES

CCC(=O)OCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C32H37NO5/c1-5-30(34)38-19-18-37-29-15-13-24(22-8-10-23(11-9-22)31(35)36)20-26(29)25-12-14-28(33-16-6-7-17-33)27(21-25)32(2,3)4/h8-15,20-21H,5-7,16-19H2,1-4H3,(H,35,36)