methyl 4-[6,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)quinoxalin-2-yl]benzoate

Systemtic Name: methyl 4-[6,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)quinoxalin-2-yl]benzoate Openeye Name: methyl 4-[6,7-dimethyl-3-(1,1,3,3-tetramethylbutylamino)quinoxalin-2-yl]benzoate CAS Name: 4-[6,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)-2-quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6,7-dimethyl-3-(2,4,4-trimethylpentan-2-ylamino)quinoxalin-2-yl]benzoate Traditional Name: 4-[6,7-dimethyl-3-(1,1,3,3-tetramethylbutylamino)quinoxalin-2-yl]benzoic acid methyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=C(C=C3)C(=O)OC)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C26H33N3O2/c1-16-13-20-21(14-17(16)2)28-23(29-26(6,7)15-25(3,4)5)22(27-20)18-9-11-19(12-10-18)24(30)31-8/h9-14H,15H2,1-8H3,(H,28,29)