ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C23H28BrNO4/c1-5-28-22(27)19(13-16-9-7-6-8-10-16)25-21(26)15-29-20-12-11-17(24)14-18(20)23(2,3)4/h6-12,14,19H,5,13,15H2,1-4H3,(H,25,26)