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

Systemtic Name: methyl 9-[[3-(butoxycarbonylamino)-5-(hydroxymethyl)phenyl]amino]acridine-3-carboxylate Openeye Name: methyl 9-[3-(butoxycarbonylamino)-5-(hydroxymethyl)anilino]acridine-3-carboxylate CAS Name: 9-[3-[[butoxy(oxo)methyl]amino]-5-(hydroxymethyl)anilino]-3-acridinecarboxylic acid methyl ester IUPAC Name: methyl 9-[3-(butoxycarbonylamino)-5-(hydroxymethyl)anilino]acridine-3-carboxylate Traditional Name: 9-[3-(butoxycarbonylamino)-5-methylol-anilino]acridine-3-carboxylic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5/c1-3-4-11-35-27(33)29-20-13-17(16-31)12-19(15-20)28-25-21-7-5-6-8-23(21)30-24-14-18(26(32)34-2)9-10-22(24)25/h5-10,12-15,31H,3-4,11,16H2,1-2H3,(H,28,30)(H,29,33)