ethyl (3S,6S)-6-(5-chloranyl-2-ethoxycarbonyl-phenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate

Systemtic Name: ethyl (3S,6S)-6-(5-chloranyl-2-ethoxycarbonyl-phenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Openeye Name: ethyl (3S,6S)-6-(5-chloro-2-ethoxycarbonyl-phenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate CAS Name: (3S,6S)-6-(5-chloro-2-ethoxycarbonylphenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,6S)-6-(5-chloro-2-ethoxycarbonylphenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Traditional Name: (3S,6S)-6-(2-carbethoxy-5-chloro-phenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid ethyl ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(CCC2CN1)OC3=C(C=CC(=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1CC2C[C@H](CCC2CN1)OC3=C(C=CC(=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H28ClNO5/c1-3-26-20(24)17-8-6-15(22)11-19(17)28-16-7-5-13-12-23-18(10-14(13)9-16)21(25)27-4-2/h6,8,11,13-14,16,18,23H,3-5,7,9-10,12H2,1-2H3/t13?,14?,16-,18-/m0/s1