dimethyl (5S,6S)-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate CAS Name: (5S,6S)-2-(phenylmethyl)-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate Traditional Name: (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylic acid dimethyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CN(C=C2CC1C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=CN(C=C2C[C@@H]1C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4/c1-23-18(21)16-8-14-11-20(10-13-6-4-3-5-7-13)12-15(14)9-17(16)19(22)24-2/h3-7,11-12,16-17H,8-10H2,1-2H3/t16-,17-/m0/s1