methyl 3-(2,2-dimethylpropanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(2,2-dimethylpropanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(2,2-dimethyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(2,2-dimethylpropanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(pivaloylamino)benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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