methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]methyl]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-phenyl]methyl]benzoate CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chlorophenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]methyl]benzoate Traditional Name: 4-[4-chloro-2-(piperonylcarbamoyl)benzyl]benzoic acid methyl ester Formula: C24H20ClNO5 MolecularWeight: 437.8723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H20ClNO5/c1-29-24(28)17-5-2-15(3-6-17)10-18-7-8-19(25)12-20(18)23(27)26-13-16-4-9-21-22(11-16)31-14-30-21/h2-9,11-12H,10,13-14H2,1H3,(H,26,27)