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

Systemtic Name: ethyl 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-phenyl]carbamoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-phenyl]carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-bromoanilino]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromophenyl]carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[[4-bromo-2-(piperonylcarbamoyl)phenyl]carbamoyl]isonipecotic acid ethyl ester Formula: C24H26BrN3O6 MolecularWeight: 532.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H26BrN3O6/c1-2-32-23(30)16-7-9-28(10-8-16)24(31)27-19-5-4-17(25)12-18(19)22(29)26-13-15-3-6-20-21(11-15)34-14-33-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,26,29)(H,27,31)