2-[[3-(acridin-9-ylamino)-5-[(4-oxidanyl-4-oxidanylidene-butyl)amino]phenyl]methoxy]butanoic acid

Systemtic Name: 2-[[3-(acridin-9-ylamino)-5-[(4-oxidanyl-4-oxidanylidene-butyl)amino]phenyl]methoxy]butanoic acid Openeye Name: 2-[[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-oxo-butyl)amino]phenyl]methoxy]butanoic acid CAS Name: 2-[[3-(9-acridinylamino)-5-[(4-hydroxy-4-oxobutyl)amino]phenyl]methoxy]butanoic acid IUPAC Name: 2-[[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-oxobutyl)amino]phenyl]methoxy]butanoic acid Traditional Name: 2-[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-keto-butyl)amino]benzyl]oxybutyric acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OCC1=CC(=CC(=C1)NCCCC(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CCC(C(=O)O)OCC1=CC(=CC(=C1)NCCCC(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C28H29N3O5/c1-2-25(28(34)35)36-17-18-14-19(29-13-7-12-26(32)33)16-20(15-18)30-27-21-8-3-5-10-23(21)31-24-11-6-4-9-22(24)27/h3-6,8-11,14-16,25,29H,2,7,12-13,17H2,1H3,(H,30,31)(H,32,33)(H,34,35)