4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Formula: C23H23NO2 MolecularWeight: 345.43422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C4CC4)C

Isomeric SMILES

CC1(CCN(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C4CC4)C

InChI

InChI=1S/C23H23NO2/c1-23(2)13-14-24(19-10-11-19)21-12-7-17(15-20(21)23)4-3-16-5-8-18(9-6-16)22(25)26/h5-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,26)