methyl 9-[[3-azanyl-5-(hydroxymethyl)phenyl]amino]acridine-4-carboxylate

Systemtic Name: methyl 9-[[3-azanyl-5-(hydroxymethyl)phenyl]amino]acridine-4-carboxylate Openeye Name: methyl 9-[3-amino-5-(hydroxymethyl)anilino]acridine-4-carboxylate CAS Name: 9-[3-amino-5-(hydroxymethyl)anilino]-4-acridinecarboxylic acid methyl ester IUPAC Name: methyl 9-[3-amino-5-(hydroxymethyl)anilino]acridine-4-carboxylate Traditional Name: 9-(3-amino-5-methylol-anilino)acridine-4-carboxylic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC(=CC(=C4)N)CO

Isomeric SMILES

COC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC(=CC(=C4)N)CO

InChI

InChI=1S/C22H19N3O3/c1-28-22(27)18-7-4-6-17-20(16-5-2-3-8-19(16)25-21(17)18)24-15-10-13(12-26)9-14(23)11-15/h2-11,26H,12,23H2,1H3,(H,24,25)