methyl 3-acetamido-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-acetamido-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate CAS Name: 3-acetamido-4-(4-benzoyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate Traditional Name: 3-acetamido-4-(4-benzoylpiperazino)benzoic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-15(25)22-18-14-17(21(27)28-2)8-9-19(18)23-10-12-24(13-11-23)20(26)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,22,25)