N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)vinyl]-4-methyl-benzamide Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O4/c1-3-4-11-23-22(26)18(24-21(25)17-8-5-15(2)6-9-17)12-16-7-10-19-20(13-16)28-14-27-19/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,26)(H,24,25)/b18-12+