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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(=O)O)CO

Isomeric SMILES

CCCCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(=O)O)CO

InChI

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