[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO6/c1-13(15-6-4-3-5-7-15)8-21(25)26-11-20(24)22-17-10-19-18(27-12-28-19)9-16(17)14(2)23/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1