tert-butyl N-[3-[(3-aminocarbonylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(3-aminocarbonylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Openeye Name: tert-butyl N-[3-[(3-carbamoylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate CAS Name: N-[3-[(3-carbamoyl-9-acridinyl)amino]-5-(hydroxymethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(3-carbamoylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Traditional Name: N-[3-[(3-carbamoylacridin-9-yl)amino]-5-methylol-phenyl]carbamic acid tert-butyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c1-26(2,3)34-25(33)29-18-11-15(14-31)10-17(13-18)28-23-19-6-4-5-7-21(19)30-22-12-16(24(27)32)8-9-20(22)23/h4-13,31H,14H2,1-3H3,(H2,27,32)(H,28,30)(H,29,33)