methyl 2-(4-chlorophenyl)-2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3,5-dimethylbenzoyl)piperazino]acetic acid methyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C22H25ClN2O3/c1-15-12-16(2)14-18(13-15)21(26)25-10-8-24(9-11-25)20(22(27)28-3)17-4-6-19(23)7-5-17/h4-7,12-14,20H,8-11H2,1-3H3