9H-fluoren-9-ylmethyl 6-(2-oxidanylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 6-(2-oxidanylpropan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 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 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 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 9H-fluoren-9-ylmethyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(CN(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C1)O

Isomeric SMILES

CC(C)(C1=CC2=C(CN(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C1)O

InChI

InChI=1S/C27H27NO3/c1-27(2,30)20-12-11-19-16-28(14-13-18(19)15-20)26(29)31-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-12,15,25,30H,13-14,16-17H2,1-2H3