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

Systemtic Name: methyl 2-[6,7-diethoxy-2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-[oxo-(phenethylamino)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-(phenethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC3=CC=CC=C3)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC3=CC=CC=C3)CC(=O)OC)OCC

InChI

InChI=1S/C25H32N2O5/c1-4-31-22-15-19-12-14-27(25(29)26-13-11-18-9-7-6-8-10-18)21(17-24(28)30-3)20(19)16-23(22)32-5-2/h6-10,15-16,21H,4-5,11-14,17H2,1-3H3,(H,26,29)