(2-chloranyl-4,5-dimethoxy-phenyl)methyl 4-(4-methylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: (2-chloranyl-4,5-dimethoxy-phenyl)methyl 4-(4-methylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: (2-chloro-4,5-dimethoxy-phenyl)methyl 4-(4-methylbenzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-piperazinecarboxylic acid (2-chloro-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-chloro-4,5-dimethoxyphenyl)methyl 4-(4-methylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-p-toluoylpiperazine-1-carboxylic acid (2-chloro-4,5-dimethoxy-benzyl) ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC(=C(C=C3Cl)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC(=C(C=C3Cl)OC)OC

InChI

InChI=1S/C22H25ClN2O5/c1-15-4-6-16(7-5-15)21(26)24-8-10-25(11-9-24)22(27)30-14-17-12-19(28-2)20(29-3)13-18(17)23/h4-7,12-13H,8-11,14H2,1-3H3