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

Systemtic Name: ethyl 3-(2,2-dimethylpropanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(2,2-dimethylpropanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(pivaloylamino)benzoic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-5-32-23(30)19-11-12-21(20(17-19)26-24(31)25(2,3)4)27-13-15-28(16-14-27)22(29)18-9-7-6-8-10-18/h6-12,17H,5,13-16H2,1-4H3,(H,26,31)