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

Systemtic Name: ethyl 2-[[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H26BrNO5 MolecularWeight: 476.36024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO5/c1-2-28-23(27)20(13-16-7-4-3-5-8-16)25-22(26)17-10-11-21(19(24)14-17)30-15-18-9-6-12-29-18/h3-5,7-8,10-11,14,18,20H,2,6,9,12-13,15H2,1H3,(H,25,26)