4-[3-[4-(dimethylamino)-3-propan-2-yl-phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[4-(dimethylamino)-3-propan-2-yl-phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[4-(dimethylamino)-3-isopropyl-phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[4-(dimethylamino)-3-propan-2-ylphenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[4-(dimethylamino)-3-propan-2-ylphenyl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[4-(dimethylamino)-3-isopropyl-phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-14(2)18-13-17(10-11-19(18)22(3)4)20(23)12-7-15-5-8-16(9-6-15)21(24)25/h5-6,8-11,13-14,20,23H,1-4H3,(H,24,25)