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

Systemtic Name: methyl 4-[[6-bromanylhexyl-(4-methoxycarbonylphenyl)amino]methyl]benzoate Openeye Name: methyl 4-[[N-(6-bromohexyl)-4-methoxycarbonyl-anilino]methyl]benzoate CAS Name: 4-[[N-(6-bromohexyl)-4-methoxycarbonylanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-(6-bromohexyl)-4-methoxycarbonylanilino]methyl]benzoate Traditional Name: 4-[[N-(6-bromohexyl)-4-carbomethoxy-anilino]methyl]benzoic acid methyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-28-22(26)19-9-7-18(8-10-19)17-25(16-6-4-3-5-15-24)21-13-11-20(12-14-21)23(27)29-2/h7-14H,3-6,15-17H2,1-2H3