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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-4-butoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-1-(phenylcarbamoyl)vinyl]-4-butoxy-benzamide CAS Name: N-[3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide IUPAC Name: N-[3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-1-(phenylcarbamoyl)vinyl]-4-butoxy-benzamide Formula: C27H26N2O5 MolecularWeight: 458.50574

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5/c1-2-3-15-32-22-12-10-20(11-13-22)26(30)29-23(27(31)28-21-7-5-4-6-8-21)16-19-9-14-24-25(17-19)34-18-33-24/h4-14,16-17H,2-3,15,18H2,1H3,(H,28,31)(H,29,30)