ethyl (4aS,5R,8R,8aR)-8-acetamido-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylate

Systemtic Name: ethyl (4aS,5R,8R,8aR)-8-acetamido-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylate Openeye Name: ethyl (4aS,5R,8R,8aR)-8-acetamido-2-benzyl-7,8a-dimethyl-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylate CAS Name: (4aS,5R,8R,8aR)-8-acetamido-7,8a-dimethyl-2-(phenylmethyl)-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4aS,5R,8R,8aR)-8-acetamido-2-benzyl-7,8a-dimethyl-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylate Traditional Name: (4aS,5R,8R,8aR)-8-acetamido-2-benzyl-7,8a-dimethyl-1,3,4,4a,5,8-hexahydroisoquinoline-5-carboxylic acid ethyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=C(C(C2(C1CCN(C2)CC3=CC=CC=C3)C)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-5-28-22(27)19-13-16(2)21(24-17(3)26)23(4)15-25(12-11-20(19)23)14-18-9-7-6-8-10-18/h6-10,13,19-21H,5,11-12,14-15H2,1-4H3,(H,24,26)/t19-,20+,21-,23+/m1/s1