methyl 4-[6-bromanylhexyl-(4-methoxycarbonylphenyl)amino]benzoate

Systemtic Name: methyl 4-[6-bromanylhexyl-(4-methoxycarbonylphenyl)amino]benzoate Openeye Name: methyl 4-[N-(6-bromohexyl)-4-methoxycarbonyl-anilino]benzoate CAS Name: 4-[N-(6-bromohexyl)-4-methoxycarbonylanilino]benzoic acid methyl ester IUPAC Name: methyl 4-[N-(6-bromohexyl)-4-methoxycarbonylanilino]benzoate Traditional Name: 4-[N-(6-bromohexyl)-4-carbomethoxy-anilino]benzoic acid methyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(CCCCCCBr)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(CCCCCCBr)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H26BrNO4/c1-27-21(25)17-7-11-19(12-8-17)24(16-6-4-3-5-15-23)20-13-9-18(10-14-20)22(26)28-2/h7-14H,3-6,15-16H2,1-2H3