methyl 2-[6,7-diethoxy-2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-diethoxy-2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-(isobutylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-[(2-methylpropylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-(isobutylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC(C)C)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC(C)C)CC(=O)OC)OCC

InChI

InChI=1S/C21H32N2O5/c1-6-27-18-10-15-8-9-23(21(25)22-13-14(3)4)17(12-20(24)26-5)16(15)11-19(18)28-7-2/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,22,25)