5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3-(acridin-9-ylamino)-5-methylol-anilino]-5-keto-valeric acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)CO)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)CO)NC(=O)CCCC(=O)O

InChI

InChI=1S/C25H23N3O4/c29-15-16-12-17(26-23(30)10-5-11-24(31)32)14-18(13-16)27-25-19-6-1-3-8-21(19)28-22-9-4-2-7-20(22)25/h1-4,6-9,12-14,29H,5,10-11,15H2,(H,26,30)(H,27,28)(H,31,32)