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

Systemtic Name: (4-acetamidophenyl) 3-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: (4-acetamidophenyl) 3-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[(4-methylpiperazino)methyl]benzoic acid (4-acetamidophenyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C

InChI

InChI=1S/C21H25N3O3/c1-16(25)22-19-6-8-20(9-7-19)27-21(26)18-5-3-4-17(14-18)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)