ethyl 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]butanoate

Systemtic Name: ethyl 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]butanoate Openeye Name: ethyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]butanoate CAS Name: 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]butanoate Traditional Name: 2-[3-(acridin-9-ylamino)-5-methylol-anilino]butyric acid ethyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

CCC(C(=O)OCC)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

InChI=1S/C26H27N3O3/c1-3-22(26(31)32-4-2)27-18-13-17(16-30)14-19(15-18)28-25-20-9-5-7-11-23(20)29-24-12-8-6-10-21(24)25/h5-15,22,27,30H,3-4,16H2,1-2H3,(H,28,29)