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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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