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

Systemtic Name: ethyl 2-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]butanoate Openeye Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]butanoate CAS Name: 2-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]butanoate Traditional Name: 2-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]butyric acid ethyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N)C(=O)OCC

Isomeric SMILES

CCC(C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N)C(=O)OCC

InChI

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