3-[4-(acridin-9-ylamino)phenyl]propanoic acid trihydrate dihydrochloride

Systemtic Name: 3-[4-(acridin-9-ylamino)phenyl]propanoic acid trihydrate dihydrochloride Openeye Name: 3-[4-(acridin-9-ylamino)phenyl]propanoic acid trihydrate dihydrochloride CAS Name: 3-[4-(9-acridinylamino)phenyl]propanoic acid trihydrate dihydrochloride IUPAC Name: 3-[4-(acridin-9-ylamino)phenyl]propanoic acid trihydrate dihydrochloride Traditional Name: 3-[4-(acridin-9-ylamino)phenyl]propionic acid trihydrate dihydrochloride Formula: C44H44Cl2N4O7 MolecularWeight: 811.74876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)O.O.O.O.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)O.O.O.O.Cl.Cl

InChI

InChI=1S/2C22H18N2O2.2ClH.3H2O/c2*25-21(26)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22;;;;;/h2*1-10,12-13H,11,14H2,(H,23,24)(H,25,26);2*1H;3*1H2