propan-2-yl 4-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxyacetyl]amino]benzoic acid isopropyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H21NO7/c1-14(2)30-22(26)16-5-7-17(8-6-16)23-20(24)12-27-21(25)10-4-15-3-9-18-19(11-15)29-13-28-18/h3-11,14H,12-13H2,1-2H3,(H,23,24)/b10-4+