ethyl 1-[2-[acetamido(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloranyl-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[acetamido(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloranyl-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[acetamido(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloro-phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[[acetamido(1,3-benzodioxol-5-ylmethyl)amino]-oxomethyl]-4-chlorophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[acetamido(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chlorophenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[acetamido(piperonyl)carbamoyl]-4-chloro-phenyl]isonipecotic acid ethyl ester Formula: C25H28ClN3O6 MolecularWeight: 501.95932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)N(CC3=CC4=C(C=C3)OCO4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)Cl)C(=O)N(CC3=CC4=C(C=C3)OCO4)NC(=O)C

InChI

InChI=1S/C25H28ClN3O6/c1-3-33-25(32)18-8-10-28(11-9-18)21-6-5-19(26)13-20(21)24(31)29(27-16(2)30)14-17-4-7-22-23(12-17)35-15-34-22/h4-7,12-13,18H,3,8-11,14-15H2,1-2H3,(H,27,30)