2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[2-(3-methylbutanoyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide CAS Name: 2-[[2-(3-methyl-1-oxobutyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylacetamide IUPAC Name: 2-[[2-(3-methylbutanoyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[2-isovaleryl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)NCC=C

InChI

InChI=1S/C26H32N2O3/c1-5-13-27-24(29)17-31-22-11-10-20-12-14-28(25(30)15-18(2)3)26(23(20)16-22)21-8-6-19(4)7-9-21/h5-11,16,18,26H,1,12-15,17H2,2-4H3,(H,27,29)