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

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C21H23N3O4/c1-14-11-17(15(2)24(14)9-4-10-27-3)20(25)13-28-21(26)16-5-6-18-19(12-16)23-8-7-22-18/h5-8,11-12H,4,9-10,13H2,1-3H3