4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethyloxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethyloxy)phenyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N(C)C

InChI

InChI=1S/C27H31NO4/c1-27(2,3)23-17-21(10-12-24(23)28(4)5)22-16-20(11-13-25(22)32-15-14-29)18-6-8-19(9-7-18)26(30)31/h6-13,16-17,29H,14-15H2,1-5H3,(H,30,31)