ethyl 2-[2-bromanyl-4-[[(3-chloranyl-4-piperidin-1-yl-phenyl)amino]methyl]-6-ethoxy-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-bromanyl-4-[[(3-chloranyl-4-piperidin-1-yl-phenyl)amino]methyl]-6-ethoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-4-[[3-chloro-4-(1-piperidyl)anilino]methyl]-6-ethoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[[3-chloro-4-(1-piperidinyl)anilino]methyl]-6-ethoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-4-[(3-chloro-4-piperidin-1-ylanilino)methyl]-6-ethoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[(3-chloro-4-piperidino-anilino)methyl]-6-ethoxy-phenoxy]acetic acid ethyl ester Formula: C24H30BrClN2O4 MolecularWeight: 525.863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCCCC3)Cl)Br)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCCCC3)Cl)Br)OCC(=O)OCC

InChI

InChI=1S/C24H30BrClN2O4/c1-3-30-22-13-17(12-19(25)24(22)32-16-23(29)31-4-2)15-27-18-8-9-21(20(26)14-18)28-10-6-5-7-11-28/h8-9,12-14,27H,3-7,10-11,15-16H2,1-2H3