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

Systemtic Name: 5-bromanyl-4-[2-[[(4-cyclohexylphenyl)amino]-(2-piperidin-1-ylphenyl)amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-bromo-4-[2-[N-(4-cyclohexylanilino)-2-(1-piperidyl)anilino]-2-oxo-ethyl]-2-methoxy-benzoic acid CAS Name: 5-bromo-4-[2-[N-(4-cyclohexylanilino)-2-(1-piperidinyl)anilino]-2-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 5-bromo-4-[2-(N-(4-cyclohexylanilino)-2-piperidin-1-ylanilino)-2-oxoethyl]-2-methoxybenzoic acid Traditional Name: 5-bromo-4-[2-(N-(4-cyclohexylanilino)-2-piperidino-anilino)-2-keto-ethyl]-2-methoxy-benzoic acid Formula: C33H38BrN3O4 MolecularWeight: 620.57652

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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)C5CCCCC5

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C33H38BrN3O4/c1-41-31-20-25(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)35-26-16-14-24(15-17-26)23-10-4-2-5-11-23/h6-7,12-17,20,22-23,35H,2-5,8-11,18-19,21H2,1H3,(H,39,40)