methyl 4-[[4-(2,5-dimethoxyphenyl)-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2,5-dimethoxyphenyl)-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,5-dimethoxyphenyl)-2-methyl-3-oxo-piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(2,5-dimethoxyphenyl)-2-methyl-3-oxo-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethoxyphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2,5-dimethoxyphenyl)-3-keto-2-methyl-piperazino]methyl]benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1CC2=CC=C(C=C2)C(=O)OC)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1C(=O)N(CCN1CC2=CC=C(C=C2)C(=O)OC)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-15-21(25)24(19-13-18(27-2)9-10-20(19)28-3)12-11-23(15)14-16-5-7-17(8-6-16)22(26)29-4/h5-10,13,15H,11-12,14H2,1-4H3