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

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(4-oxidanylbutoxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(4-hydroxybutoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(4-hydroxybutoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(4-hydroxybutoxy)phenyl]benzoic acid Formula: C31H37NO4 MolecularWeight: 487.62978

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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)OCCCCO)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO4/c1-31(2,3)27-21-25(12-14-28(27)32-16-4-5-17-32)26-20-24(13-15-29(26)36-19-7-6-18-33)22-8-10-23(11-9-22)30(34)35/h8-15,20-21,33H,4-7,16-19H2,1-3H3,(H,34,35)