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

Systemtic Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C30H35NO4 MolecularWeight: 473.6032

Click to see the large picture

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)OCCCO)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO4/c1-30(2,3)26-20-24(11-13-27(26)31-15-4-5-16-31)25-19-23(12-14-28(25)35-18-6-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,4-6,15-18H2,1-3H3,(H,33,34)