(phenylmethyl) 6-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(hydroxyamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(hydroxycarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)NO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)NO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4/c21-17(19-23)15-6-7-16-11-20(9-8-14(16)10-15)18(22)24-12-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11-12H2,(H,19,21)