4-bromanyl-3-(carboxymethyloxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(4-piperidylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(4-piperidinylamino)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-(4-piperidylamino)phenyl]-2-thenoic acid Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1CNCCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C18H19BrN2O5S/c19-14-15(26-9-13(22)23)17(18(24)25)27-16(14)10-2-1-3-12(8-10)21-11-4-6-20-7-5-11/h1-3,8,11,20-21H,4-7,9H2,(H,22,23)(H,24,25)