[2-[(5-bromanyl-2-ethoxy-phenyl)amino]cyclohexyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: [2-[(5-bromanyl-2-ethoxy-phenyl)amino]cyclohexyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: [2-(5-bromo-2-ethoxy-anilino)cyclohexyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid [2-(5-bromo-2-ethoxyanilino)cyclohexyl]methyl ester IUPAC Name: [2-(5-bromo-2-ethoxyanilino)cyclohexyl]methyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid [2-(5-bromo-2-ethoxy-anilino)cyclohexyl]methyl ester Formula: C28H35BrN4O3 MolecularWeight: 555.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)NC2CCCCC2COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)NC2CCCCC2COC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5

InChI

InChI=1S/C28H35BrN4O3/c1-2-35-27-11-10-21(29)18-25(27)31-23-7-4-3-6-20(23)19-36-28(34)33-16-14-32(15-17-33)26-9-5-8-24-22(26)12-13-30-24/h5,8-13,18,20,23,30-31H,2-4,6-7,14-17,19H2,1H3