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

Systemtic Name: 2-(3-methylphenyl)ethyl 4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-(m-tolyl)ethyl 4-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-piperazinecarboxylic acid 2-(3-methylphenyl)ethyl ester IUPAC Name: 2-(3-methylphenyl)ethyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-benzyl)piperazine-1-carboxylic acid 2-(m-tolyl)ethyl ester Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCOC(=O)N2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CCOC(=O)N2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H29BrN2O4/c1-17-5-4-6-18(13-17)7-12-30-23(27)26-10-8-25(9-11-26)16-19-14-21(28-2)22(29-3)15-20(19)24/h4-6,13-15H,7-12,16H2,1-3H3