N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide Openeye Name: N-[(E)-1-[(4-acetylphenyl)carbamoyl]-2-(1,3-benzodioxol-5-yl)vinyl]-4-butoxy-benzamide CAS Name: N-[(E)-3-(4-acetylanilino)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide IUPAC Name: N-[(E)-3-(4-acetylanilino)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide Traditional Name: N-[(E)-1-[(4-acetylphenyl)carbamoyl]-2-(1,3-benzodioxol-5-yl)vinyl]-4-butoxy-benzamide Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C29H28N2O6/c1-3-4-15-35-24-12-8-22(9-13-24)28(33)31-25(16-20-5-14-26-27(17-20)37-18-36-26)29(34)30-23-10-6-21(7-11-23)19(2)32/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,34)(H,31,33)/b25-16+