ethyl 2-[(5-bromanyl-2-propoxy-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(5-bromanyl-2-propoxy-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(5-bromo-2-propoxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(5-bromo-2-propoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-propoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(5-bromo-2-propoxy-benzoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H24BrNO4/c1-3-12-27-19-11-10-16(22)14-17(19)20(24)23-18(21(25)26-4-2)13-15-8-6-5-7-9-15/h5-11,14,18H,3-4,12-13H2,1-2H3,(H,23,24)