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

Systemtic Name: ethyl 3-acetamido-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate CAS Name: 3-acetamido-4-(4-benzoyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate Traditional Name: 3-acetamido-4-(4-benzoylpiperazino)benzoic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H25N3O4/c1-3-29-22(28)18-9-10-20(19(15-18)23-16(2)26)24-11-13-25(14-12-24)21(27)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)