methyl 2-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(5-bromo-2-phenethyloxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-phenethyloxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(5-bromo-2-phenethyloxy-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C25H24BrNO4 MolecularWeight: 482.36636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrNO4/c1-30-25(29)22(16-19-10-6-3-7-11-19)27-24(28)21-17-20(26)12-13-23(21)31-15-14-18-8-4-2-5-9-18/h2-13,17,22H,14-16H2,1H3,(H,27,28)