9-[[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]amino]acridine-4-carboxylic acid

Systemtic Name: 9-[[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]amino]acridine-4-carboxylic acid Openeye Name: 9-[3-(tert-butoxycarbonylamino)-5-(hydroxymethyl)anilino]acridine-4-carboxylic acid CAS Name: 9-[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]anilino]-4-acridinecarboxylic acid IUPAC Name: 9-[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]acridine-4-carboxylic acid Traditional Name: 9-[3-(tert-butoxycarbonylamino)-5-methylol-anilino]acridine-4-carboxylic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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