methyl 2-[(2R)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCCN1CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H19BrN2O5/c1-22-15(20)8-12-16(21)18-2-3-19(12)9-10-6-13-14(7-11(10)17)24-5-4-23-13/h6-7,12H,2-5,8-9H2,1H3,(H,18,21)/t12-/m1/s1