ethyl 2-[4-[[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[(4-bromo-2,6-dimethyl-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[[[(4-bromo-2,6-dimethylanilino)-oxomethyl]-heptylamino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(4-bromo-2,6-dimethylphenyl)carbamoyl-heptylamino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[[(4-bromo-2,6-dimethyl-phenyl)carbamoyl-heptyl-amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C29H41BrN2O4 MolecularWeight: 561.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C29H41BrN2O4/c1-7-9-10-11-12-17-32(28(34)31-26-21(3)18-24(30)19-22(26)4)20-23-13-15-25(16-14-23)36-29(5,6)27(33)35-8-2/h13-16,18-19H,7-12,17,20H2,1-6H3,(H,31,34)