[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]methyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate

Systemtic Name: [1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]methyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate Openeye Name: [1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-piperidyl]methyl 3-methyl-4-(m-tolyl)piperazine-1-carboxylate CAS Name: 3-methyl-4-(3-methylphenyl)-1-piperazinecarboxylic acid [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate Traditional Name: 3-methyl-4-(m-tolyl)piperazine-1-carboxylic acid [1-(2-bromo-4,5-dimethoxy-benzyl)-3-piperidyl]methyl ester Formula: C28H38BrN3O4 MolecularWeight: 560.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)OCC3CCCN(C3)CC4=CC(=C(C=C4Br)OC)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)OCC3CCCN(C3)CC4=CC(=C(C=C4Br)OC)OC

InChI

InChI=1S/C28H38BrN3O4/c1-20-7-5-9-24(13-20)32-12-11-31(16-21(32)2)28(33)36-19-22-8-6-10-30(17-22)18-23-14-26(34-3)27(35-4)15-25(23)29/h5,7,9,13-15,21-22H,6,8,10-12,16-19H2,1-4H3