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

Systemtic Name: ethyl 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(5-bromo-2-isopentyloxy-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-4-28-23(27)20(14-17-8-6-5-7-9-17)25-22(26)19-15-18(24)10-11-21(19)29-13-12-16(2)3/h5-11,15-16,20H,4,12-14H2,1-3H3,(H,25,26)