ethyl 4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]methyl]cyclohexanecarboxylate CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-chloro-2-(piperonylcarbamoyl)anilino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H29ClN2O5 MolecularWeight: 472.96116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29ClN2O5/c1-2-31-25(30)18-6-3-16(4-7-18)13-27-21-9-8-19(26)12-20(21)24(29)28-14-17-5-10-22-23(11-17)33-15-32-22/h5,8-12,16,18,27H,2-4,6-7,13-15H2,1H3,(H,28,29)