methyl 3-bromanyl-4-[(3-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-bromanyl-4-[(3-methylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate CAS Name: 3-bromo-4-[(3-methyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-bromo-4-[(3-methylpiperazino)methyl]benzoic acid methyl ester Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1CN(CCN1)CC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C14H19BrN2O2/c1-10-8-17(6-5-16-10)9-12-4-3-11(7-13(12)15)14(18)19-2/h3-4,7,10,16H,5-6,8-9H2,1-2H3