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

Systemtic Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetic acid CAS Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetic acid IUPAC Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetic acid Traditional Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4/c1-3-22(4-2)14-13-16-9-8-12-18-20(16)26-21(25-18,15-19(23)24)17-10-6-5-7-11-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,24)