5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-yl-6-thiophen-3-yl-phenyl)ethylamino]ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-yl-6-thiophen-3-yl-phenyl)ethylamino]ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-oxo-2-[1-[2-(1-piperidyl)-6-(3-thienyl)phenyl]ethylamino]ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-oxo-2-[1-[2-(1-piperidinyl)-6-(3-thiophenyl)phenyl]ethylamino]ethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-oxo-2-[1-(2-piperidin-1-yl-6-thiophen-3-ylphenyl)ethylamino]ethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[1-[2-piperidino-6-(3-thienyl)phenyl]ethylamino]ethyl]-2-methoxy-benzoic acid Formula: C27H29BrN2O4S MolecularWeight: 557.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1N2CCCCC2)C3=CSC=C3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC(C1=C(C=CC=C1N2CCCCC2)C3=CSC=C3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C27H29BrN2O4S/c1-17(29-25(31)14-19-13-24(34-2)21(27(32)33)15-22(19)28)26-20(18-9-12-35-16-18)7-6-8-23(26)30-10-4-3-5-11-30/h6-9,12-13,15-17H,3-5,10-11,14H2,1-2H3,(H,29,31)(H,32,33)