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

Systemtic Name: methyl 9-[[3-(hydroxymethyl)-5-(phenoxycarbonylamino)phenyl]amino]acridine-4-carboxylate Openeye Name: methyl 9-[3-(hydroxymethyl)-5-(phenoxycarbonylamino)anilino]acridine-4-carboxylate CAS Name: 9-[3-(hydroxymethyl)-5-[[oxo(phenoxy)methyl]amino]anilino]-4-acridinecarboxylic acid methyl ester IUPAC Name: methyl 9-[3-(hydroxymethyl)-5-(phenoxycarbonylamino)anilino]acridine-4-carboxylate Traditional Name: 9-[3-(carbophenoxyamino)-5-methylol-anilino]acridine-4-carboxylic acid methyl ester Formula: C29H23N3O5 MolecularWeight: 493.51002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC(=CC(=C4)CO)NC(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC(=CC(=C4)CO)NC(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O5/c1-36-28(34)24-12-7-11-23-26(22-10-5-6-13-25(22)32-27(23)24)30-19-14-18(17-33)15-20(16-19)31-29(35)37-21-8-3-2-4-9-21/h2-16,33H,17H2,1H3,(H,30,32)(H,31,35)