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

Systemtic Name: 2-[4-[(4-ethylacridin-9-yl)amino]phenyl]ethanoic acid hydrate Openeye Name: 2-[4-[(4-ethylacridin-9-yl)amino]phenyl]acetic acid hydrate CAS Name: 2-[4-[(4-ethyl-9-acridinyl)amino]phenyl]acetic acid hydrate IUPAC Name: 2-[4-[(4-ethylacridin-9-yl)amino]phenyl]acetic acid hydrate Traditional Name: 2-[4-[(4-ethylacridin-9-yl)amino]phenyl]acetic acid hydrate Formula: C46H42N4O5 MolecularWeight: 730.84948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CC(=O)O.CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CC(=O)O.O

Isomeric SMILES

CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CC(=O)O.CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)CC(=O)O.O

InChI

InChI=1S/2C23H20N2O2.H2O/c2*1-2-16-6-5-8-19-22(16)25-20-9-4-3-7-18(20)23(19)24-17-12-10-15(11-13-17)14-21(26)27;/h2*3-13H,2,14H2,1H3,(H,24,25)(H,26,27);1H2