methyl 3-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(2-bromo-4,5-diethoxyphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC(CC(=O)OC)C2=CC=CC=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC(CC(=O)OC)C2=CC=CC=C2)Br)OCC

InChI

InChI=1S/C22H26BrNO5/c1-4-28-19-11-16(17(23)13-20(19)29-5-2)12-21(25)24-18(14-22(26)27-3)15-9-7-6-8-10-15/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,24,25)