4-[3-[3-tert-butyl-4-(diethylamino)-5-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(diethylamino)-5-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(diethylamino)-5-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(diethylamino)-5-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(diethylamino)-5-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(diethylamino)-5-methyl-phenyl]-4-(3-hydroxypropoxy)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=C1C(C)(C)C)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1C(C)(C)C)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

InChI

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