4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 4-(cyanomethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2CC#N)C(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2CC#N)C(=O)O)C=C1

InChI

InChI=1S/C13H14N2O3/c1-18-11-3-2-9-7-15(13(16)17)8-10(4-5-14)12(9)6-11/h2-3,6,10H,4,7-8H2,1H3,(H,16,17)