3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propanoic acid

Systemtic Name: 3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propanoic acid Openeye Name: 3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propanoic acid CAS Name: 3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propanoic acid IUPAC Name: 3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propanoic acid Traditional Name: 3-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]propionic acid Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C)CCC(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C)CCC(=O)O

InChI

InChI=1S/C20H24N2O3/c1-21(2)13-5-7-16-15(9-10-20(23)24)17-8-6-14(22(3)4)12-19(17)25-18(16)11-13/h5-8,11-12,15H,9-10H2,1-4H3,(H,23,24)