methyl 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 5-amyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC2=C1CC(NC2)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=CC2=C1CC(NC2)C(=O)OC

InChI

InChI=1S/C16H23NO2/c1-3-4-5-7-12-8-6-9-13-11-17-15(10-14(12)13)16(18)19-2/h6,8-9,15,17H,3-5,7,10-11H2,1-2H3