ethyl (4aR,8aR)-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a-tetrahydroisoquinoline-5-carboxylate

Systemtic Name: ethyl (4aR,8aR)-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a-tetrahydroisoquinoline-5-carboxylate Openeye Name: ethyl (4aR,8aR)-2-benzyl-7,8a-dimethyl-1,3,4,4a-tetrahydroisoquinoline-5-carboxylate CAS Name: (4aR,8aR)-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a-tetrahydroisoquinoline-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,8aR)-2-benzyl-7,8a-dimethyl-1,3,4,4a-tetrahydroisoquinoline-5-carboxylate Traditional Name: (4aR,8aR)-2-benzyl-7,8a-dimethyl-1,3,4,4a-tetrahydroisoquinoline-5-carboxylic acid ethyl ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2(C1CCN(C2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C[C@@]2([C@H]1CCN(C2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H27NO2/c1-4-24-20(23)18-12-16(2)13-21(3)15-22(11-10-19(18)21)14-17-8-6-5-7-9-17/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,21-/m0/s1