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

Systemtic Name: ethyl 4-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H22N2O6/c1-2-32-26(31)19-9-11-20(12-10-19)27-25(30)21(28-24(29)18-6-4-3-5-7-18)14-17-8-13-22-23(15-17)34-16-33-22/h3-15H,2,16H2,1H3,(H,27,30)(H,28,29)/b21-14+