methyl 3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]benzoate CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]benzoate Traditional Name: 3-(homopiperonylcarbamoyl)benzoic acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO5/c1-22-18(21)14-4-2-3-13(10-14)17(20)19-8-7-12-5-6-15-16(9-12)24-11-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)