4-[3-[4-(diethylamino)-3-ethyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[4-(diethylamino)-3-ethyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[4-(diethylamino)-3-ethyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[4-(diethylamino)-3-ethylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[4-(diethylamino)-3-ethylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[4-(diethylamino)-3-ethyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)N(CC)CC

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)N(CC)CC

InChI

InChI=1S/C28H33NO4/c1-4-20-18-24(12-14-26(20)29(5-2)6-3)25-19-23(13-15-27(25)33-17-7-16-30)21-8-10-22(11-9-21)28(31)32/h8-15,18-19,30H,4-7,16-17H2,1-3H3,(H,31,32)