methyl 4-[[4-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxidanylidene-piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxo-piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-methoxy-5-methylphenyl)-2-methyl-3-oxo-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-keto-4-(2-methoxy-5-methyl-phenyl)-2-methyl-piperazino]methyl]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-15-5-10-20(27-3)19(13-15)24-12-11-23(16(2)21(24)25)14-17-6-8-18(9-7-17)22(26)28-4/h5-10,13,16H,11-12,14H2,1-4H3