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

Systemtic Name: methyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]acetate CAS Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methylphenyl]acetate Traditional Name: 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-methyl-phenyl]acetic acid methyl ester Formula: C26H29NO2 MolecularWeight: 387.51396

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO2/c1-18-13-19(7-9-21(18)15-25(28)29-4)5-6-20-8-10-22-16-27(23-11-12-23)17-26(2,3)24(22)14-20/h7-10,13-14,23H,11-12,15-17H2,1-4H3