4-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-(acridin-9-ylamino)-5-methylol-anilino]-4-keto-butyric acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c28-14-15-11-16(25-22(29)9-10-23(30)31)13-17(12-15)26-24-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)24/h1-8,11-13,28H,9-10,14H2,(H,25,29)(H,26,27)(H,30,31)