methyl 2-cyano-2-[3-[(4-propan-2-ylphenyl)amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(4-propan-2-ylphenyl)amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(4-isopropylanilino)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(4-propan-2-ylanilino)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(4-propan-2-ylanilino)quinoxalin-2-yl]acetate Traditional Name: 2-(3-cumidinoquinoxalin-2-yl)-2-cyano-acetic acid methyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C21H20N4O2/c1-13(2)14-8-10-15(11-9-14)23-20-19(16(12-22)21(26)27-3)24-17-6-4-5-7-18(17)25-20/h4-11,13,16H,1-3H3,(H,23,25)