2-[[3-[[(2-carboxyphenyl)carbonylamino]methyl]-5-methyl-phenyl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[3-[[(2-carboxyphenyl)carbonylamino]methyl]-5-methyl-phenyl]methylcarbamoyl]benzoic acid Openeye Name: 2-[[3-[[(2-carboxybenzoyl)amino]methyl]-5-methyl-phenyl]methylcarbamoyl]benzoic acid CAS Name: 2-[[[3-[[[(2-carboxyphenyl)-oxomethyl]amino]methyl]-5-methylphenyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[[(2-carboxybenzoyl)amino]methyl]-5-methylphenyl]methylcarbamoyl]benzoic acid Traditional Name: 2-[[3-[[(2-carboxybenzoyl)amino]methyl]-5-methyl-benzyl]carbamoyl]benzoic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)C2=CC=CC=C2C(=O)O)CNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)C2=CC=CC=C2C(=O)O)CNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H22N2O6/c1-15-10-16(13-26-22(28)18-6-2-4-8-20(18)24(30)31)12-17(11-15)14-27-23(29)19-7-3-5-9-21(19)25(32)33/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)