2-ethyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 2-ethyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 2-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 2-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 2-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1C(=O)[O-])C=C(C=C2)O

Isomeric SMILES

CCN1CCC2=C(C1C(=O)[O-])C=C(C=C2)O

InChI

InChI=1S/C12H15NO3/c1-2-13-6-5-8-3-4-9(14)7-10(8)11(13)12(15)16/h3-4,7,11,14H,2,5-6H2,1H3,(H,15,16)/p-1