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

Systemtic Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(3-propanoyloxypropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(3-propanoyloxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-[3-(1-oxopropoxy)propoxy]phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(3-propanoyloxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(3-propionyloxypropoxy)phenyl]benzoic acid Formula: C33H41NO5 MolecularWeight: 531.68234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N(CC)CC)C(C)(C)C

Isomeric SMILES

CCC(=O)OCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)N(CC)CC)C(C)(C)C

InChI

InChI=1S/C33H41NO5/c1-7-31(35)39-20-10-19-38-30-18-16-25(23-11-13-24(14-12-23)32(36)37)21-27(30)26-15-17-29(34(8-2)9-3)28(22-26)33(4,5)6/h11-18,21-22H,7-10,19-20H2,1-6H3,(H,36,37)