[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C20H21N3O3/c1-12(2)23-13(3)9-16(14(23)4)19(24)11-26-20(25)15-5-6-17-18(10-15)22-8-7-21-17/h5-10,12H,11H2,1-4H3