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

Systemtic Name: ethyl 5-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]pentanoate Openeye Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]pentanoate CAS Name: 5-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]pentanoate Traditional Name: 5-[4-chloro-2-(piperonylcarbamoyl)anilino]valeric acid ethyl ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCNC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCCCNC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25ClN2O5/c1-2-28-21(26)5-3-4-10-24-18-8-7-16(23)12-17(18)22(27)25-13-15-6-9-19-20(11-15)30-14-29-19/h6-9,11-12,24H,2-5,10,13-14H2,1H3,(H,25,27)