[2-[(5-bromanyl-2-ethoxy-phenyl)amino]cyclohexyl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: [2-[(5-bromanyl-2-ethoxy-phenyl)amino]cyclohexyl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Openeye Name: [2-(5-bromo-2-ethoxy-anilino)cyclohexyl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylic acid [2-(5-bromo-2-ethoxyanilino)cyclohexyl]methyl ester IUPAC Name: [2-(5-bromo-2-ethoxyanilino)cyclohexyl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylic acid [2-(5-bromo-2-ethoxy-anilino)cyclohexyl]methyl ester Formula: C28H38BrN3O5 MolecularWeight: 576.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)NC2CCCCC2COC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)NC2CCCCC2COC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H38BrN3O5/c1-4-36-27-10-9-21(29)15-26(27)30-25-8-6-5-7-20(25)19-37-28(33)32-13-11-31(12-14-32)22-16-23(34-2)18-24(17-22)35-3/h9-10,15-18,20,25,30H,4-8,11-14,19H2,1-3H3