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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(4-methoxyphenyl)amino]-(2-methyl-6-piperidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[N-(4-methoxyanilino)-2-methyl-6-(1-piperidyl)anilino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[N-(4-methoxyanilino)-2-methyl-6-(1-piperidinyl)anilino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-(N-(4-methoxyanilino)-2-methyl-6-piperidin-1-ylanilino)-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[2-methyl-N-(p-anisidino)-6-piperidino-anilino]ethyl]-2-methoxy-benzoic acid Formula: C29H32BrN3O5 MolecularWeight: 582.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)N(C(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)N(C(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32BrN3O5/c1-19-8-7-9-25(32-14-5-4-6-15-32)28(19)33(31-21-10-12-22(37-2)13-11-21)27(34)17-20-16-26(38-3)23(29(35)36)18-24(20)30/h7-13,16,18,31H,4-6,14-15,17H2,1-3H3,(H,35,36)