4-[3-[3-tert-butyl-5-chloranyl-4-(dimethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[3-tert-butyl-5-chloranyl-4-(dimethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-[3-tert-butyl-5-chloro-4-(dimethylamino)phenyl]-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid CAS Name: 4-[3-[3-tert-butyl-5-chloro-4-(dimethylamino)phenyl]-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-[3-tert-butyl-5-chloro-4-(dimethylamino)phenyl]-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid Traditional Name: 4-[3-[3-tert-butyl-5-chloro-4-(dimethylamino)phenyl]-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(C#CC2=CC(=C(C=C2)C(=O)O)O)O)Cl)N(C)C

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(C#CC2=CC(=C(C=C2)C(=O)O)O)O)Cl)N(C)C

InChI

InChI=1S/C22H24ClNO4/c1-22(2,3)16-11-14(12-17(23)20(16)24(4)5)18(25)9-7-13-6-8-15(21(27)28)19(26)10-13/h6,8,10-12,18,25-26H,1-5H3,(H,27,28)