ethyl 3-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-3-oxo-propanoate CAS Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoate Traditional Name: 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-3-keto-propionic acid ethyl ester Formula: C20H21Br2NO5 MolecularWeight: 515.19244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

Isomeric SMILES

CCOC(=O)CC(=O)NC1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

InChI

InChI=1S/C20H21Br2NO5/c1-4-27-19(26)10-18(25)23-12-7-15(21)20(16(22)8-12)28-13-5-6-17(24)14(9-13)11(2)3/h5-9,11,24H,4,10H2,1-3H3,(H,23,25)