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

Systemtic Name: 2-[[3-(acridin-9-ylamino)-5-[(4-oxidanyl-4-oxidanylidene-butyl)amino]phenyl]methyl]butanoic acid Openeye Name: 2-[[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-oxo-butyl)amino]phenyl]methyl]butanoic acid CAS Name: 2-[[3-(9-acridinylamino)-5-[(4-hydroxy-4-oxobutyl)amino]phenyl]methyl]butanoic acid IUPAC Name: 2-[[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-oxobutyl)amino]phenyl]methyl]butanoic acid Traditional Name: 2-[3-(acridin-9-ylamino)-5-[(4-hydroxy-4-keto-butyl)amino]benzyl]butyric acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC(=C1)NCCCC(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCC(CC1=CC(=CC(=C1)NCCCC(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H29N3O4/c1-2-19(28(34)35)14-18-15-20(29-13-7-12-26(32)33)17-21(16-18)30-27-22-8-3-5-10-24(22)31-25-11-6-4-9-23(25)27/h3-6,8-11,15-17,19,29H,2,7,12-14H2,1H3,(H,30,31)(H,32,33)(H,34,35)