sodium 2-[[3-(acridin-9-ylamino)-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxymethyl]phenyl]amino]propanoate

Systemtic Name: sodium 2-[[3-(acridin-9-ylamino)-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxymethyl]phenyl]amino]propanoate Openeye Name: sodium 2-[3-(acridin-9-ylamino)-5-[(2-hydroxy-1-methyl-2-oxo-ethoxy)methyl]anilino]propanoate CAS Name: sodium 2-[3-(9-acridinylamino)-5-[(1-hydroxy-1-oxopropan-2-yl)oxymethyl]anilino]propanoate IUPAC Name: sodium 2-[3-(acridin-9-ylamino)-5-[(1-hydroxy-1-oxopropan-2-yl)oxymethyl]anilino]propanoate Traditional Name: sodium 2-[3-(acridin-9-ylamino)-5-[(2-hydroxy-2-keto-1-methyl-ethoxy)methyl]anilino]propionate Formula: C26H24N3NaO5 MolecularWeight: 481.47563

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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)COC(C)C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5.Na/c1-15(25(30)31)27-18-11-17(14-34-16(2)26(32)33)12-19(13-18)28-24-20-7-3-5-9-22(20)29-23-10-6-4-8-21(23)24;/h3-13,15-16,27H,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33);/q;+1/p-1