ethyl 3-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(3-bromo-4-isobutoxy-benzoyl)amino]propanoate CAS Name: 3-[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[3-bromo-4-(2-methylpropoxy)benzoyl]amino]propanoate Traditional Name: 3-[benzyl-(3-bromo-4-isobutoxy-benzoyl)amino]propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-4-28-22(26)12-13-25(15-18-8-6-5-7-9-18)23(27)19-10-11-21(20(24)14-19)29-16-17(2)3/h5-11,14,17H,4,12-13,15-16H2,1-3H3