2-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-o-toluoylisonipecotoyl)amino]terephthalic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22N2O6/c1-13-4-2-3-5-16(13)20(26)24-10-8-14(9-11-24)19(25)23-18-12-15(21(27)28)6-7-17(18)22(29)30/h2-7,12,14H,8-11H2,1H3,(H,23,25)(H,27,28)(H,29,30)