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

Systemtic Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-oxidanyl-phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-hydroxy-phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-hydroxyphenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-hydroxyphenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-hydroxy-phenyl]benzoic acid Formula: C27H31NO3 MolecularWeight: 417.53994

Click to see the large picture

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)O)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)O)C(C)(C)C

InChI

InChI=1S/C27H31NO3/c1-6-28(7-2)24-14-12-21(17-23(24)27(3,4)5)22-16-20(13-15-25(22)29)18-8-10-19(11-9-18)26(30)31/h8-17,29H,6-7H2,1-5H3,(H,30,31)