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

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(2-hydroxy-4-methyl-benzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-hydroxy-4-methyl-benzoyl)piperazino]acetic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-14-3-8-17(18(25)13-14)20(26)24-11-9-23(10-12-24)19(21(27)28-2)15-4-6-16(22)7-5-15/h3-8,13,19,25H,9-12H2,1-2H3