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

Systemtic Name: (phenylmethyl) 6-(2-oxidanylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-(1-hydroxy-1-methyl-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-(2-hydroxypropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2-hydroxypropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(1-hydroxy-1-methyl-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(CN(CC2)C(=O)OCC3=CC=CC=C3)C=C1)O

Isomeric SMILES

CC(C)(C1=CC2=C(CN(CC2)C(=O)OCC3=CC=CC=C3)C=C1)O

InChI

InChI=1S/C20H23NO3/c1-20(2,23)18-9-8-17-13-21(11-10-16(17)12-18)19(22)24-14-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13-14H2,1-2H3