4-[2-(4,4-dimethyl-2-propan-2-yloxy-3H-quinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2-propan-2-yloxy-3H-quinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(2-isopropoxy-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2-propan-2-yloxy-3H-quinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2-propan-2-yloxy-3H-quinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(2-isopropoxy-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C1)(C)C

Isomeric SMILES

CC(C)OC1=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C1)(C)C

InChI

InChI=1S/C23H23NO3/c1-15(2)27-21-14-23(3,4)19-13-17(9-12-20(19)24-21)6-5-16-7-10-18(11-8-16)22(25)26/h7-13,15H,14H2,1-4H3,(H,25,26)