2-[[(4-bromanyl-3-methyl-phenyl)-(2-carboxyethyl)amino]methyl]benzoic acid

Systemtic Name: 2-[[(4-bromanyl-3-methyl-phenyl)-(2-carboxyethyl)amino]methyl]benzoic acid Openeye Name: 2-[[4-bromo-N-(2-carboxyethyl)-3-methyl-anilino]methyl]benzoic acid CAS Name: 2-[[4-bromo-N-(2-carboxyethyl)-3-methylanilino]methyl]benzoic acid IUPAC Name: 2-[[4-bromo-N-(2-carboxyethyl)-3-methylanilino]methyl]benzoic acid Traditional Name: 2-[[4-bromo-N-(2-carboxyethyl)-3-methyl-anilino]methyl]benzoic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC(=O)O)CC2=CC=CC=C2C(=O)O)Br

InChI

InChI=1S/C18H18BrNO4/c1-12-10-14(6-7-16(12)19)20(9-8-17(21)22)11-13-4-2-3-5-15(13)18(23)24/h2-7,10H,8-9,11H2,1H3,(H,21,22)(H,23,24)