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

Systemtic Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]acetic acid CAS Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methylphenyl]acetic acid Traditional Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]acetic acid Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2=CC3=C(CN(CC3(C)C)C4CC4)C=C2)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC3=C(CN(CC3(C)C)C4CC4)C=C2)CC(=O)O

InChI

InChI=1S/C25H27NO2/c1-17-12-18(6-8-20(17)14-24(27)28)4-5-19-7-9-21-15-26(22-10-11-22)16-25(2,3)23(21)13-19/h6-9,12-13,22H,10-11,14-16H2,1-3H3,(H,27,28)