4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(ethylamino)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C(C)(C)C

Isomeric SMILES

CCNC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C(C)(C)C

InChI

InChI=1S/C28H33NO4/c1-5-29-25-13-11-22(18-24(25)28(2,3)4)23-17-21(12-14-26(23)33-16-6-15-30)19-7-9-20(10-8-19)27(31)32/h7-14,17-18,29-30H,5-6,15-16H2,1-4H3,(H,31,32)