[2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[1-(4-methoxy-4-oxo-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-keto-2-[1-(4-keto-4-methoxy-butyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C22H23N3O5/c1-14-11-17(15(2)25(14)10-4-5-21(27)29-3)20(26)13-30-22(28)16-6-7-18-19(12-16)24-9-8-23-18/h6-9,11-12H,4-5,10,13H2,1-3H3