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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC(=CC(=C4)CO)NC(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC(=CC(=C4)CO)NC(=O)OC5=CC=CC=C5

InChI

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