sodium 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]propanoate

Systemtic Name: sodium 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]propanoate Openeye Name: sodium 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoate CAS Name: sodium 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]propanoate IUPAC Name: sodium 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoate Traditional Name: sodium 2-[3-(acridin-9-ylamino)-5-methylol-anilino]propionate Formula: C23H20N3NaO3 MolecularWeight: 409.41297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO.[Na+]

Isomeric SMILES

CC(C(=O)[O-])NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO.[Na+]

InChI

InChI=1S/C23H21N3O3.Na/c1-14(23(28)29)24-16-10-15(13-27)11-17(12-16)25-22-18-6-2-4-8-20(18)26-21-9-5-3-7-19(21)22;/h2-12,14,24,27H,13H2,1H3,(H,25,26)(H,28,29);/q;+1/p-1