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

Systemtic Name: 7-oxidanyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-benzyloxycarbonyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 7-hydroxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: 7-hydroxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-carbobenzoxy-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C18H16NO5- MolecularWeight: 326.32334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)O)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)O)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H17NO5/c20-15-7-6-13-9-16(17(21)22)19(10-14(13)8-15)18(23)24-11-12-4-2-1-3-5-12/h1-8,16,20H,9-11H2,(H,21,22)/p-1