[3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl 2-ethyl-4-oxidanylidene-pentanoate

Systemtic Name: [3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl 2-ethyl-4-oxidanylidene-pentanoate Openeye Name: [3-(acridin-9-ylamino)-5-amino-phenyl]methyl 2-ethyl-4-oxo-pentanoate CAS Name: 2-ethyl-4-oxopentanoic acid [3-(9-acridinylamino)-5-aminophenyl]methyl ester IUPAC Name: [3-(acridin-9-ylamino)-5-aminophenyl]methyl 2-ethyl-4-oxopentanoate Traditional Name: 2-ethyl-4-keto-valeric acid [3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-3-19(12-17(2)31)27(32)33-16-18-13-20(28)15-21(14-18)29-26-22-8-4-6-10-24(22)30-25-11-7-5-9-23(25)26/h4-11,13-15,19H,3,12,16,28H2,1-2H3,(H,29,30)