[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)CCCC(C)C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)CCCC(C)C)N=C1C

InChI

InChI=1S/C21H29N3O3/c1-13(2)7-6-8-14(3)22-20(25)12-27-21(26)17-9-10-18-19(11-17)24-16(5)15(4)23-18/h9-11,13-14H,6-8,12H2,1-5H3,(H,22,25)