4-[3-[4-(diethylamino)-3,5-di(propan-2-yl)phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[4-(diethylamino)-3,5-di(propan-2-yl)phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[4-(diethylamino)-3,5-diisopropyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[4-(diethylamino)-3,5-di(propan-2-yl)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[4-(diethylamino)-3,5-di(propan-2-yl)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[4-(diethylamino)-3,5-diisopropyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C32H41NO4 MolecularWeight: 503.67224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41NO4/c1-7-33(8-2)31-27(21(3)4)19-26(20-28(31)22(5)6)29-18-25(14-15-30(29)37-17-9-16-34)23-10-12-24(13-11-23)32(35)36/h10-15,18-22,34H,7-9,16-17H2,1-6H3,(H,35,36)