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

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[(1-methoxycarbonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methoxycarbonyl-4-piperidyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methoxycarbonyl-4-piperidinyl)amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methoxycarbonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-5-[3-[(1-carbomethoxy-4-piperidyl)amino]phenyl]-3-(carboxymethyloxy)-2-thenoic acid Formula: C20H21BrN2O7S MolecularWeight: 513.35894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O7S/c1-29-20(28)23-7-5-12(6-8-23)22-13-4-2-3-11(9-13)17-15(21)16(30-10-14(24)25)18(31-17)19(26)27/h2-4,9,12,22H,5-8,10H2,1H3,(H,24,25)(H,26,27)