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

Systemtic Name: methyl 3-(butanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(butanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxobutylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(butanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-butyramido-benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-3-7-21(27)24-19-16-18(23(29)30-2)10-11-20(19)25-12-14-26(15-13-25)22(28)17-8-5-4-6-9-17/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,24,27)