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

Systemtic Name: ethyl 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]pentanoate Openeye Name: ethyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]pentanoate CAS Name: 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]pentanoate Traditional Name: 2-[3-(acridin-9-ylamino)-5-methylol-anilino]valeric acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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