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

Systemtic Name: ethyl 3-[[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]amino]propanoate CAS Name: 3-[[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoate Traditional Name: 3-[benzyl-[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]amino]propionic acid ethyl ester Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C24H28BrNO5/c1-2-29-23(27)12-13-26(16-18-7-4-3-5-8-18)24(28)19-10-11-22(21(25)15-19)31-17-20-9-6-14-30-20/h3-5,7-8,10-11,15,20H,2,6,9,12-14,16-17H2,1H3