3-[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: 3-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: 3-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: 3-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: 3-[4-(2-anilino-2-keto-ethoxy)-3-bromo-5-methoxy-phenyl]-N-benzyl-2-cyano-acrylamide Formula: C26H22BrN3O4 MolecularWeight: 520.37458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H22BrN3O4/c1-33-23-14-19(12-20(15-28)26(32)29-16-18-8-4-2-5-9-18)13-22(27)25(23)34-17-24(31)30-21-10-6-3-7-11-21/h2-14H,16-17H2,1H3,(H,29,32)(H,30,31)