5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[[(4-phenoxyphenyl)amino]-(2-piperidin-1-ylphenyl)amino]ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[[(4-phenoxyphenyl)amino]-(2-piperidin-1-ylphenyl)amino]ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-oxo-2-[N-(4-phenoxyanilino)-2-(1-piperidyl)anilino]ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-oxo-2-[N-(4-phenoxyanilino)-2-(1-piperidinyl)anilino]ethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-oxo-2-(N-(4-phenoxyanilino)-2-piperidin-1-ylanilino)ethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-(N-(4-phenoxyanilino)-2-piperidino-anilino)ethyl]-2-methoxy-benzoic acid Formula: C33H32BrN3O5 MolecularWeight: 630.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C33H32BrN3O5/c1-41-31-20-23(28(34)22-27(31)33(39)40)21-32(38)37(30-13-7-6-12-29(30)36-18-8-3-9-19-36)35-24-14-16-26(17-15-24)42-25-10-4-2-5-11-25/h2,4-7,10-17,20,22,35H,3,8-9,18-19,21H2,1H3,(H,39,40)