(phenylmethyl) 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethanoate Openeye Name: benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]acetic acid benzyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCC(=O)OCC3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O6/c29-24(32-16-18-7-3-1-4-8-18)15-27-26(31)21(28-25(30)20-9-5-2-6-10-20)13-19-11-12-22-23(14-19)34-17-33-22/h1-14H,15-17H2,(H,27,31)(H,28,30)/b21-13+