methyl 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC)OC)OC

InChI

InChI=1S/C23H30N2O4/c1-17-12-21(27-2)22(28-3)14-20(17)16-25-10-8-24(9-11-25)15-18-6-5-7-19(13-18)23(26)29-4/h5-7,12-14H,8-11,15-16H2,1-4H3