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

Systemtic Name: [3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl 2-methyl-4-oxidanylidene-pentanoate Openeye Name: [3-(acridin-9-ylamino)-5-amino-phenyl]methyl 2-methyl-4-oxo-pentanoate CAS Name: 2-methyl-4-oxopentanoic acid [3-(9-acridinylamino)-5-aminophenyl]methyl ester IUPAC Name: [3-(acridin-9-ylamino)-5-aminophenyl]methyl 2-methyl-4-oxopentanoate Traditional Name: 4-keto-2-methyl-valeric acid [3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-16(11-17(2)30)26(31)32-15-18-12-19(27)14-20(13-18)28-25-21-7-3-5-9-23(21)29-24-10-6-4-8-22(24)25/h3-10,12-14,16H,11,15,27H2,1-2H3,(H,28,29)