4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3CCC(C3)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3CCC(C3)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-28(2,3)22-6-12-25(13-7-22)33-26-14-8-23(9-15-26)29-17-16-20(18-29)19-32-24-10-4-21(5-11-24)27(30)31/h4-15,20H,16-19H2,1-3H3,(H,30,31)