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

Systemtic Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]butanoate Openeye Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]butanoate CAS Name: 2-[2-acetamido-6-(9-acridinylamino)-4-(hydroxymethyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]butanoate Traditional Name: 2-[2-acetamido-6-(acridin-9-ylamino)-4-methylol-phenyl]butyric acid ethyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4/c1-4-19(28(34)35-5-2)26-24(29-17(3)33)14-18(16-32)15-25(26)31-27-20-10-6-8-12-22(20)30-23-13-9-7-11-21(23)27/h6-15,19,32H,4-5,16H2,1-3H3,(H,29,33)(H,30,31)