2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]phenyl]acetic acid Formula: C24H25NO2 MolecularWeight: 359.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)C4CC4)C

Isomeric SMILES

CC1(CN(CC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)C4CC4)C

InChI

InChI=1S/C24H25NO2/c1-24(2)16-25(21-11-12-21)15-20-10-9-18(13-22(20)24)6-3-17-4-7-19(8-5-17)14-23(26)27/h4-5,7-10,13,21H,11-12,14-16H2,1-2H3,(H,26,27)