diethyl 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylate

Systemtic Name: diethyl 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylate Openeye Name: diethyl 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylate CAS Name: 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylate Traditional Name: 5-methyl-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid diethyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(CN1)C=CC=C2C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(CN1)C=CC=C2C)C(=O)OCC

InChI

InChI=1S/C16H21NO4/c1-4-20-14(18)16(15(19)21-5-2)9-13-11(3)7-6-8-12(13)10-17-16/h6-8,17H,4-5,9-10H2,1-3H3