[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C20H20ClNO6/c1-12-7-15(4-5-16(12)21)25-10-19(23)28-13(2)20(24)22-9-14-3-6-17-18(8-14)27-11-26-17/h3-8,13H,9-11H2,1-2H3,(H,22,24)/t13-/m0/s1