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

Systemtic Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[3-tert-butyl-4-(dimethylamino)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-22(2,3)18-14-17(11-12-19(18)23(4)5)20(24)13-8-15-6-9-16(10-7-15)21(25)26/h6-7,9-12,14,20,24H,1-5H3,(H,25,26)