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

Systemtic Name: ethyl 2-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]pentanoate Openeye Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]pentanoate CAS Name: 2-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]pentanoate Traditional Name: 2-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]valeric acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-3-9-20(27(32)33-4-2)25-21(28)14-17(16-31)15-24(25)30-26-18-10-5-7-12-22(18)29-23-13-8-6-11-19(23)26/h5-8,10-15,20,31H,3-4,9,16,28H2,1-2H3,(H,29,30)