2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]ethanoic acid Openeye Name: 2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]acetic acid CAS Name: 2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]acetic acid IUPAC Name: 2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]acetic acid Traditional Name: 2-[4-[2-(2-diethylaminoethyloxy)ethyl]-2-phenyl-1,3-benzodioxol-2-yl]acetic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOCCC1=C2C(=CC=C1)OC(O2)(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOCCC1=C2C(=CC=C1)OC(O2)(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO5/c1-3-24(4-2)14-16-27-15-13-18-9-8-12-20-22(18)29-23(28-20,17-21(25)26)19-10-6-5-7-11-19/h5-12H,3-4,13-17H2,1-2H3,(H,25,26)