[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O7/c1-3-27-16-7-4-14(5-8-16)21(26)22-11-19(24)30-13(2)20(25)23-15-6-9-17-18(10-15)29-12-28-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,26)(H,23,25)