2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-N-phenethyl-benzamide Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c28-24(13-11-19-10-12-22-23(16-19)31-17-30-22)27-21-9-5-4-8-20(21)25(29)26-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,26,29)(H,27,28)/b13-11+