ethyl 2-[2-bromanyl-6-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-bromanyl-6-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-6-ethoxy-4-[(1,1,3,3-tetramethylbutylamino)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-6-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-6-ethoxy-4-[(1,1,3,3-tetramethylbutylamino)methyl]phenoxy]acetic acid ethyl ester Formula: C21H34BrNO4 MolecularWeight: 444.40296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(C)(C)CC(C)(C)C)Br)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(C)(C)CC(C)(C)C)Br)OCC(=O)OCC

InChI

InChI=1S/C21H34BrNO4/c1-8-25-17-11-15(12-23-21(6,7)14-20(3,4)5)10-16(22)19(17)27-13-18(24)26-9-2/h10-11,23H,8-9,12-14H2,1-7H3