methyl 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid methyl ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O6/c1-31-25(30)18-8-10-19(11-9-18)26-24(29)20(27-23(28)17-5-3-2-4-6-17)13-16-7-12-21-22(14-16)33-15-32-21/h2-14H,15H2,1H3,(H,26,29)(H,27,28)/b20-13+