[3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl 4-oxidanylidenepentanoate Openeye Name: [3-(acridin-9-ylamino)-5-amino-phenyl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [3-(9-acridinylamino)-5-aminophenyl]methyl ester IUPAC Name: [3-(acridin-9-ylamino)-5-aminophenyl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c1-16(29)10-11-24(30)31-15-17-12-18(26)14-19(13-17)27-25-20-6-2-4-8-22(20)28-23-9-5-3-7-21(23)25/h2-9,12-14H,10-11,15,26H2,1H3,(H,27,28)