[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)ethanoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)ethanoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)CNC(=O)CC3=CC=CC=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)CNC(=O)CC3=CC=CC=C3)OCO2

InChI

InChI=1S/C21H20N2O7/c1-13(24)15-8-17-18(30-12-29-17)9-16(15)23-20(26)11-28-21(27)10-22-19(25)7-14-5-3-2-4-6-14/h2-6,8-9H,7,10-12H2,1H3,(H,22,25)(H,23,26)