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

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-butyl-benzamide Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-butyl-benzamide CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-butylbenzamide IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-butylbenzamide Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-N-butyl-benzamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O4/c1-2-3-12-22-21(25)16-6-4-5-7-17(16)23-20(24)11-9-15-8-10-18-19(13-15)27-14-26-18/h4-11,13H,2-3,12,14H2,1H3,(H,22,25)(H,23,24)/b11-9+