4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-oxidanylbutoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-oxidanylbutoxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid Formula: C31H39NO4 MolecularWeight: 489.64566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39NO4/c1-6-32(7-2)28-16-14-25(21-27(28)31(3,4)5)26-20-24(15-17-29(26)36-19-9-8-18-33)22-10-12-23(13-11-22)30(34)35/h10-17,20-21,33H,6-9,18-19H2,1-5H3,(H,34,35)