sodium 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propanoate

Systemtic Name: sodium 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propanoate Openeye Name: sodium 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propanoate CAS Name: sodium 2-[[3-acetamido-5-(9-acridinylamino)phenyl]methoxy]propanoate IUPAC Name: sodium 2-[[3-acetamido-5-(acridin-9-ylamino)phenyl]methoxy]propanoate Traditional Name: sodium 2-[3-acetamido-5-(acridin-9-ylamino)benzyl]oxypropionate Formula: C25H22N3NaO4 MolecularWeight: 451.44965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OCC1=CC(=CC(=C1)NC(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OCC1=CC(=CC(=C1)NC(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.[Na+]

InChI

InChI=1S/C25H23N3O4.Na/c1-15(25(30)31)32-14-17-11-18(26-16(2)29)13-19(12-17)27-24-20-7-3-5-9-22(20)28-23-10-6-4-8-21(23)24;/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)(H,30,31);/q;+1/p-1