(phenylmethyl) 7-methyl-8-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 7-methyl-8-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCN(C2)C(=O)OCC3=CC=CC=C3)C=C1)O

Isomeric SMILES

CC1=C(C2=C(CCN(C2)C(=O)OCC3=CC=CC=C3)C=C1)O

InChI

InChI=1S/C18H19NO3/c1-13-7-8-15-9-10-19(11-16(15)17(13)20)18(21)22-12-14-5-3-2-4-6-14/h2-8,20H,9-12H2,1H3