5-[1-[methyl-(2-methyl-1-phenyl-propyl)amino]oxyethyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[1-[methyl-(2-methyl-1-phenyl-propyl)amino]oxyethyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[1-[methyl-(2-methyl-1-phenyl-propyl)amino]oxyethyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[1-[methyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[1-[methyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[1-[methyl-(2-methyl-1-phenyl-propyl)amino]oxyethyl]isophthalic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)N(C)OC(C)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)N(C)OC(C)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H25NO5/c1-13(2)19(15-8-6-5-7-9-15)22(4)27-14(3)16-10-17(20(23)24)12-18(11-16)21(25)26/h5-14,19H,1-4H3,(H,23,24)(H,25,26)