dimethyl (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylate

Systemtic Name: dimethyl (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylate Openeye Name: dimethyl (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylate CAS Name: (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylate Traditional Name: (1S)-1-butyl-1H-isoquinoline-2,4-dicarboxylic acid dimethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C(=CN1C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC[C@H]1C2=CC=CC=C2C(=CN1C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H21NO4/c1-4-5-10-15-13-9-7-6-8-12(13)14(16(19)21-2)11-18(15)17(20)22-3/h6-9,11,15H,4-5,10H2,1-3H3/t15-/m0/s1