4-bromanyl-3-(carboxymethyloxy)-5-[3-[(1-ethanoylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[(1-ethanoylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(1-acetyl-4-piperidyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid CAS Name: 5-[3-[(1-acetyl-4-piperidinyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(1-acetylpiperidin-4-yl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid Traditional Name: 5-[3-[(1-acetyl-4-piperidyl)amino]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thenoic acid Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C20H21BrN2O6S/c1-11(24)23-7-5-13(6-8-23)22-14-4-2-3-12(9-14)18-16(21)17(29-10-15(25)26)19(30-18)20(27)28/h2-4,9,13,22H,5-8,10H2,1H3,(H,25,26)(H,27,28)