[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-20-12-13-21(2)25(18-20)27(32)23-10-6-7-11-24(23)28(33)34-19-26(31)30-16-14-29(15-17-30)22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3