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

Systemtic Name: 2-[[3-(acridin-9-ylamino)-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxymethyl]phenyl]amino]propanoic acid Openeye Name: 2-[3-(acridin-9-ylamino)-5-[(2-hydroxy-1-methyl-2-oxo-ethoxy)methyl]anilino]propanoic acid CAS Name: 2-[3-(9-acridinylamino)-5-[(1-hydroxy-1-oxopropan-2-yl)oxymethyl]anilino]propanoic acid IUPAC Name: 2-[3-(acridin-9-ylamino)-5-[(1-hydroxy-1-oxopropan-2-yl)oxymethyl]anilino]propanoic acid Traditional Name: 2-[3-(acridin-9-ylamino)-5-[(2-hydroxy-2-keto-1-methyl-ethoxy)methyl]anilino]propionic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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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

Isomeric SMILES

CC(C(=O)O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COC(C)C(=O)O

InChI

InChI=1S/C26H25N3O5/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)