methyl (1S)-1-butyl-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (1S)-1-butyl-1H-isoquinoline-2-carboxylate Openeye Name: methyl (1S)-1-butyl-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-butyl-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1S)-1-butyl-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-butyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2/c1-3-4-9-14-13-8-6-5-7-12(13)10-11-16(14)15(17)18-2/h5-8,10-11,14H,3-4,9H2,1-2H3/t14-/m0/s1