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

Systemtic Name: ethyl 3-(butanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(butanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxobutylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(butanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-butyramido-benzoic acid ethyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OCC)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OCC)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-3-8-22(28)25-20-17-19(24(30)31-4-2)11-12-21(20)26-13-15-27(16-14-26)23(29)18-9-6-5-7-10-18/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,25,28)