methyl 2-(4-chlorophenyl)-2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazino]acetic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4/c1-15-4-5-17(14-19(15)28-2)21(26)25-12-10-24(11-13-25)20(22(27)29-3)16-6-8-18(23)9-7-16/h4-9,14,20H,10-13H2,1-3H3