ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-4-27-22(26)19(12-16-8-6-5-7-9-16)24-21(25)14-28-20-11-10-17(23)13-18(20)15(2)3/h5-11,13,15,19H,4,12,14H2,1-3H3,(H,24,25)