methyl 4-[2-(1,3-benzodioxol-4-ylcarbonylamino)ethyl]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-4-ylcarbonylamino)ethyl]benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxole-4-carbonylamino)ethyl]benzoate CAS Name: 4-[2-[[1,3-benzodioxol-4-yl(oxo)methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxole-4-carbonylamino)ethyl]benzoate Traditional Name: 4-[2-(1,3-benzodioxole-4-carbonylamino)ethyl]benzoic acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C3C(=CC=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C3C(=CC=C2)OCO3

InChI

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