ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]propanoate

Systemtic Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]propanoate Openeye Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]propanoate CAS Name: 2-[2-acetamido-6-(9-acridinylamino)-4-(hydroxymethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]propanoate Traditional Name: 2-[2-acetamido-6-(acridin-9-ylamino)-4-methylol-phenyl]propionic acid ethyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C=C(C=C1NC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C(C)C1=C(C=C(C=C1NC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C27H27N3O4/c1-4-34-27(33)16(2)25-23(28-17(3)32)13-18(15-31)14-24(25)30-26-19-9-5-7-11-21(19)29-22-12-8-6-10-20(22)26/h5-14,16,31H,4,15H2,1-3H3,(H,28,32)(H,29,30)