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

Systemtic Name: methyl 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2-methoxy-5-methyl-benzyl)piperazino]methyl]benzoic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-17-7-8-21(26-2)20(13-17)16-24-11-9-23(10-12-24)15-18-5-4-6-19(14-18)22(25)27-3/h4-8,13-14H,9-12,15-16H2,1-3H3