[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-3-25-17-7-5-4-6-16(17)22-21(24)14(2)28-20(23)11-9-15-8-10-18-19(12-15)27-13-26-18/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,22,24)