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

Systemtic Name: 2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(4-bromobenzoyl)isonipecotoyl]amino]terephthalic acid Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O6/c22-15-4-1-13(2-5-15)19(26)24-9-7-12(8-10-24)18(25)23-17-11-14(20(27)28)3-6-16(17)21(29)30/h1-6,11-12H,7-10H2,(H,23,25)(H,27,28)(H,29,30)