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

Systemtic Name: methyl 9-[[3-(hydroxymethyl)-5-(propoxycarbonylamino)phenyl]amino]acridine-4-carboxylate Openeye Name: methyl 9-[3-(hydroxymethyl)-5-(propoxycarbonylamino)anilino]acridine-4-carboxylate CAS Name: 9-[3-(hydroxymethyl)-5-[[oxo(propoxy)methyl]amino]anilino]-4-acridinecarboxylic acid methyl ester IUPAC Name: methyl 9-[3-(hydroxymethyl)-5-(propoxycarbonylamino)anilino]acridine-4-carboxylate Traditional Name: 9-[3-methylol-5-(propoxycarbonylamino)anilino]acridine-4-carboxylic acid methyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)OC)CO

Isomeric SMILES

CCCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)OC)CO

InChI

InChI=1S/C26H25N3O5/c1-3-11-34-26(32)28-18-13-16(15-30)12-17(14-18)27-23-19-7-4-5-10-22(19)29-24-20(23)8-6-9-21(24)25(31)33-2/h4-10,12-14,30H,3,11,15H2,1-2H3,(H,27,29)(H,28,32)