4-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3,3-diethyl-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3,3-diethyl-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3,3-diethyl-4-oxo-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[1-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3,3-diethyl-4-oxo-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3,3-diethyl-4-keto-azetidin-2-yl]oxybenzoic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)C(=O)O)CC

InChI

InChI=1S/C22H22N2O7/c1-3-22(4-2)19(27)24(20(22)31-15-8-5-13(6-9-15)18(25)26)21(28)23-14-7-10-16-17(11-14)30-12-29-16/h5-11,20H,3-4,12H2,1-2H3,(H,23,28)(H,25,26)