ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-bromoanilino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromophenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-bromo-2-(piperonylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H27BrN2O6/c1-2-32-25(31)17-6-4-16(5-7-17)23(29)28-20-9-8-18(26)12-19(20)24(30)27-13-15-3-10-21-22(11-15)34-14-33-21/h3,8-12,16-17H,2,4-7,13-14H2,1H3,(H,27,30)(H,28,29)