methyl 3-[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[3-(1,3-benzodioxol-5-yl)-1-oxopropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO7/c1-13-3-6-15(21(25)26-2)10-16(13)22-19(23)11-27-20(24)8-5-14-4-7-17-18(9-14)29-12-28-17/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,22,23)