carboxy (2R)-5-(2-azanylpropyl)-4,6-di(propan-2-yl)-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy (2R)-5-(2-azanylpropyl)-4,6-di(propan-2-yl)-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy (2R)-5-(2-aminopropyl)-4,6-diisopropyl-1,3-benzodioxole-2-carboxylate CAS Name: (2R)-5-(2-aminopropyl)-4,6-di(propan-2-yl)-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy (2R)-5-(2-aminopropyl)-4,6-di(propan-2-yl)-1,3-benzodioxole-2-carboxylate Traditional Name: (2R)-5-(2-aminopropyl)-4,6-diisopropyl-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=C1CC(C)N)C(C)C)OC(O2)C(=O)OC(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C(=C1CC(C)N)C(C)C)O[C@@H](O2)C(=O)OC(=O)O

InChI

InChI=1S/C18H25NO6/c1-8(2)11-7-13-15(14(9(3)4)12(11)6-10(5)19)24-17(23-13)16(20)25-18(21)22/h7-10,17H,6,19H2,1-5H3,(H,21,22)/t10?,17-/m1/s1