methyl 1-hexyl-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-hexyl-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-hexyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-hexyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-hexyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-hexyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(CCN1C(=O)OC)C=C(C=C2)O

Isomeric SMILES

CCCCCCC1C2=C(CCN1C(=O)OC)C=C(C=C2)O

InChI

InChI=1S/C17H25NO3/c1-3-4-5-6-7-16-15-9-8-14(19)12-13(15)10-11-18(16)17(20)21-2/h8-9,12,16,19H,3-7,10-11H2,1-2H3