[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5/c24-20(23-12-10-22(11-13-23)16-6-2-1-3-7-16)15-27-21(25)19-14-26-17-8-4-5-9-18(17)28-19/h1-9,19H,10-15H2/t19-/m1/s1