ethyl 6-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]-6-oxo-hexanoate CAS Name: 6-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]-6-oxohexanoate Traditional Name: 6-[4-chloro-2-(piperonylcarbamoyl)anilino]-6-keto-hexanoic acid ethyl ester Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCCCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25ClN2O6/c1-2-30-22(28)6-4-3-5-21(27)26-18-9-8-16(24)12-17(18)23(29)25-13-15-7-10-19-20(11-15)32-14-31-19/h7-12H,2-6,13-14H2,1H3,(H,25,29)(H,26,27)