cyanomethyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: cyanomethyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: cyanomethyl 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid cyanomethyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC#N

InChI

InChI=1S/C21H19N3O3/c22-13-15-27-20(25)11-10-18-21(26)24(14-12-16-6-2-1-3-7-16)19-9-5-4-8-17(19)23-18/h1-9H,10-12,14-15H2