9-[[3-(butoxycarbonylamino)-5-(hydroxymethyl)phenyl]amino]acridine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5/c1-2-3-11-34-26(33)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)32/h4-10,12-14,30H,2-3,11,15H2,1H3,(H,27,29)(H,28,33)(H,31,32)