4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-pyrrolidin-3-yl-benzoic acid

Systemtic Name: 4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-pyrrolidin-3-yl-benzoic acid Openeye Name: 4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-pyrrolidin-3-yl-benzoic acid CAS Name: 4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-(3-pyrrolidinyl)benzoic acid IUPAC Name: 4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-pyrrolidin-3-ylbenzoic acid Traditional Name: 4-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-3-pyrrolidin-3-yl-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)C3=C(C(=C(C=C3)C(=O)O)OC)C4CCNC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=C(C=C3)C(=O)O)OC)C4CCNC4

InChI

InChI=1S/C28H31NO4/c1-28(2,3)20-7-11-22(12-8-20)33-21-9-5-18(6-10-21)23-13-14-24(27(30)31)26(32-4)25(23)19-15-16-29-17-19/h5-14,19,29H,15-17H2,1-4H3,(H,30,31)