[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H25Br2NO4 MolecularWeight: 539.2569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C23H25Br2NO4/c1-16-12-19(24)22(20(25)13-16)29-14-17-6-8-18(9-7-17)23(28)30-15-21(27)26-10-4-2-3-5-11-26/h6-9,12-13H,2-5,10-11,14-15H2,1H3