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

Systemtic Name: 2-[1-[1-(1,3-benzodioxol-5-yl)butylcarbamoyl]-3,3-diethyl-4-oxidanylidene-azetidin-2-yl]oxyethanoic acid Openeye Name: 2-[1-[1-(1,3-benzodioxol-5-yl)butylcarbamoyl]-3,3-diethyl-4-oxo-azetidin-2-yl]oxyacetic acid CAS Name: 2-[[1-[[1-(1,3-benzodioxol-5-yl)butylamino]-oxomethyl]-3,3-diethyl-4-oxo-2-azetidinyl]oxy]acetic acid IUPAC Name: 2-[1-[1-(1,3-benzodioxol-5-yl)butylcarbamoyl]-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetic acid Traditional Name: 2-[1-[1-(1,3-benzodioxol-5-yl)butylcarbamoyl]-3,3-diethyl-4-keto-azetidin-2-yl]oxyacetic acid Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)NC(=O)N3C(C(C3=O)(CC)CC)OCC(=O)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)NC(=O)N3C(C(C3=O)(CC)CC)OCC(=O)O

InChI

InChI=1S/C21H28N2O7/c1-4-7-14(13-8-9-15-16(10-13)30-12-29-15)22-20(27)23-18(26)21(5-2,6-3)19(23)28-11-17(24)25/h8-10,14,19H,4-7,11-12H2,1-3H3,(H,22,27)(H,24,25)