2-[[[4-[[(2-carboxy-5-methyl-phenyl)carbonylamino]methyl]phenyl]methylamino]oxymethyl]-4-methyl-benzoic acid

Systemtic Name: 2-[[[4-[[(2-carboxy-5-methyl-phenyl)carbonylamino]methyl]phenyl]methylamino]oxymethyl]-4-methyl-benzoic acid Openeye Name: 2-[[[4-[[(2-carboxy-5-methyl-benzoyl)amino]methyl]phenyl]methylamino]oxymethyl]-4-methyl-benzoic acid CAS Name: 2-[[[4-[[[(2-carboxy-5-methylphenyl)-oxomethyl]amino]methyl]phenyl]methylamino]oxymethyl]-4-methylbenzoic acid IUPAC Name: 2-[[[4-[[(2-carboxy-5-methylbenzoyl)amino]methyl]phenyl]methylamino]oxymethyl]-4-methylbenzoic acid Traditional Name: 2-[[[4-[[(2-carboxy-5-methyl-benzoyl)amino]methyl]benzyl]amino]oxymethyl]-4-methyl-benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)CONCC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)CONCC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)C)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-16-3-9-21(25(30)31)20(11-16)15-34-28-14-19-7-5-18(6-8-19)13-27-24(29)23-12-17(2)4-10-22(23)26(32)33/h3-12,28H,13-15H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)