[4-(4-ethanoylpiperazin-1-yl)phenyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5/c1-15(24)22-10-12-23(13-11-22)16-6-8-17(9-7-16)27-21(25)20-14-26-18-4-2-3-5-19(18)28-20/h2-9,20H,10-14H2,1H3/t20-/m1/s1