ethyl 4-[3-[(4-cyanophenyl)methyl]-1-methyl-1-oxidanidyl-2H-quinoxalin-1-ium-6-yl]-5-oxidanylidene-5-pyrrolidin-1-yl-pentanoate

Systemtic Name: ethyl 4-[3-[(4-cyanophenyl)methyl]-1-methyl-1-oxidanidyl-2H-quinoxalin-1-ium-6-yl]-5-oxidanylidene-5-pyrrolidin-1-yl-pentanoate Openeye Name: ethyl 4-[3-[(4-cyanophenyl)methyl]-1-methyl-1-oxido-2H-quinoxalin-1-ium-6-yl]-5-oxo-5-pyrrolidin-1-yl-pentanoate CAS Name: 4-[3-[(4-cyanophenyl)methyl]-1-methyl-1-oxido-2H-quinoxalin-1-ium-6-yl]-5-oxo-5-(1-pyrrolidinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-cyanophenyl)methyl]-1-methyl-1-oxido-2H-quinoxalin-1-ium-6-yl]-5-oxo-5-pyrrolidin-1-ylpentanoate Traditional Name: 4-[3-(4-cyanobenzyl)-1-methyl-1-oxido-2H-quinoxalin-1-ium-6-yl]-5-keto-5-pyrrolidino-valeric acid ethyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC2=C(C=C1)[N+](CC(=N2)CC3=CC=C(C=C3)C#N)(C)[O-])C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CCC(C1=CC2=C(C=C1)[N+](CC(=N2)CC3=CC=C(C=C3)C#N)(C)[O-])C(=O)N4CCCC4

InChI

InChI=1S/C28H32N4O4/c1-3-36-27(33)13-11-24(28(34)31-14-4-5-15-31)22-10-12-26-25(17-22)30-23(19-32(26,2)35)16-20-6-8-21(18-29)9-7-20/h6-10,12,17,24H,3-5,11,13-16,19H2,1-2H3