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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CSC=C3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CSC=C3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

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