tert-butyl N-[3-[(4-aminocarbonylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-aminocarbonylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Openeye Name: tert-butyl N-[3-[(4-carbamoylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate CAS Name: N-[3-[(4-carbamoyl-9-acridinyl)amino]-5-(hydroxymethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-carbamoylacridin-9-yl)amino]-5-(hydroxymethyl)phenyl]carbamate Traditional Name: N-[3-[(4-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=C(C3=NC4=CC=CC=C42)C(=O)N)CO

Isomeric SMILES

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

InChI

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