4-[4-(3-oxidanylpropoxy)-3-(4-pyrrolidin-1-ylphenyl)phenyl]benzoic acid

Systemtic Name: 4-[4-(3-oxidanylpropoxy)-3-(4-pyrrolidin-1-ylphenyl)phenyl]benzoic acid Openeye Name: 4-[4-(3-hydroxypropoxy)-3-(4-pyrrolidin-1-ylphenyl)phenyl]benzoic acid CAS Name: 4-[4-(3-hydroxypropoxy)-3-[4-(1-pyrrolidinyl)phenyl]phenyl]benzoic acid IUPAC Name: 4-[4-(3-hydroxypropoxy)-3-(4-pyrrolidin-1-ylphenyl)phenyl]benzoic acid Traditional Name: 4-[4-(3-hydroxypropoxy)-3-(4-pyrrolidinophenyl)phenyl]benzoic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)OCCCO

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)OCCCO

InChI

InChI=1S/C26H27NO4/c28-16-3-17-31-25-13-10-22(19-4-6-21(7-5-19)26(29)30)18-24(25)20-8-11-23(12-9-20)27-14-1-2-15-27/h4-13,18,28H,1-3,14-17H2,(H,29,30)