2-[4-[(4-methylacridin-9-yl)amino]phenyl]ethanoic acid hydrate

Systemtic Name: 2-[4-[(4-methylacridin-9-yl)amino]phenyl]ethanoic acid hydrate Openeye Name: 2-[4-[(4-methylacridin-9-yl)amino]phenyl]acetic acid hydrate CAS Name: 2-[4-[(4-methyl-9-acridinyl)amino]phenyl]acetic acid hydrate IUPAC Name: 2-[4-[(4-methylacridin-9-yl)amino]phenyl]acetic acid hydrate Traditional Name: 2-[4-[(4-methylacridin-9-yl)amino]phenyl]acetic acid hydrate Formula: C44H38N4O5 MolecularWeight: 702.79632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)CC(=O)O.CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)CC(=O)O.O

Isomeric SMILES

CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)CC(=O)O.CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)CC(=O)O.O

InChI

InChI=1S/2C22H18N2O2.H2O/c2*1-14-5-4-7-18-21(14)24-19-8-3-2-6-17(19)22(18)23-16-11-9-15(10-12-16)13-20(25)26;/h2*2-12H,13H2,1H3,(H,23,24)(H,25,26);1H2