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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[1-(2-methyl-6-piperidin-1-yl-phenyl)pentylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[1-[2-methyl-6-(1-piperidyl)phenyl]pentylamino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[1-[2-methyl-6-(1-piperidinyl)phenyl]pentylamino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[1-(2-methyl-6-piperidin-1-ylphenyl)pentylamino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[1-(2-methyl-6-piperidino-phenyl)pentylamino]ethyl]-2-methoxy-benzoic acid Formula: C27H35BrN2O4 MolecularWeight: 531.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=CC=C1N2CCCCC2)C)NC(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br

Isomeric SMILES

CCCCC(C1=C(C=CC=C1N2CCCCC2)C)NC(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br

InChI

InChI=1S/C27H35BrN2O4/c1-4-5-11-22(26-18(2)10-9-12-23(26)30-13-7-6-8-14-30)29-25(31)16-19-15-24(34-3)20(27(32)33)17-21(19)28/h9-10,12,15,17,22H,4-8,11,13-14,16H2,1-3H3,(H,29,31)(H,32,33)