ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3-bromo-4-isobutoxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-4-isobutoxy-benzoyl)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)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

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

InChI

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