[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)COC(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)COC(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H25N3O6/c32-26(16-35-27(33)11-5-6-18-15-29-22-9-3-1-7-20(18)22)31-23-10-4-2-8-21(23)28(34)30-19-12-13-24-25(14-19)37-17-36-24/h1-4,7-10,12-15,29H,5-6,11,16-17H2,(H,30,34)(H,31,32)