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

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(propan-2-ylamino)prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(isopropylcarbamoyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(isopropylcarbamoyl)vinyl]-4-methyl-benzamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)NC(C)C

InChI

InChI=1S/C21H22N2O4/c1-13(2)22-21(25)17(23-20(24)16-7-4-14(3)5-8-16)10-15-6-9-18-19(11-15)27-12-26-18/h4-11,13H,12H2,1-3H3,(H,22,25)(H,23,24)/b17-10+