[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H29NO6/c1-3-4-5-6-18-7-9-19(10-8-18)21(27)12-14-24(28)32-17(2)25(29)26-20-11-13-22-23(15-20)31-16-30-22/h7-11,13,15,17H,3-6,12,14,16H2,1-2H3,(H,26,29)