[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] tetralin-6-carboxylate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: tetralin-6-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H23NO5/c1-14(21(24)23-12-15-6-9-19-20(10-15)27-13-26-19)28-22(25)18-8-7-16-4-2-3-5-17(16)11-18/h6-11,14H,2-5,12-13H2,1H3,(H,23,24)/t14-/m1/s1