5-[2-[(2-naphthalen-2-yl-2-oxidanyl-ethyl)amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[2-[(2-naphthalen-2-yl-2-oxidanyl-ethyl)amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[2-[[2-hydroxy-2-(2-naphthyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[2-[[2-hydroxy-2-(2-naphthalenyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-[2-[[2-hydroxy-2-(2-naphthyl)ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C24H23NO7 MolecularWeight: 437.44192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NCC(C3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NCC(C3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C24H23NO7/c1-14(25-13-19(26)18-8-7-16-4-2-3-5-17(16)12-18)10-15-6-9-20-21(11-15)32-24(31-20,22(27)28)23(29)30/h2-9,11-12,14,19,25-26H,10,13H2,1H3,(H,27,28)(H,29,30)