methyl (2S)-3-[(4-ethoxyphenyl)-oxidanyl-methylidene]-2-morpholin-4-ium-4-yl-4,5-bis(oxidanylidene)-1-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-3-[(4-ethoxyphenyl)-oxidanyl-methylidene]-2-morpholin-4-ium-4-yl-4,5-bis(oxidanylidene)-1-phenyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-3-[(4-ethoxyphenyl)-hydroxy-methylene]-2-morpholin-4-ium-4-yl-4,5-dioxo-1-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-morpholin-4-iumyl)-4,5-dioxo-1-phenyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-morpholin-4-ium-4-yl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate Traditional Name: (2S)-3-[hydroxy(p-phenetyl)methylene]-4,5-diketo-2-morpholin-4-ium-4-yl-1-phenyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C25H27N2O7+ MolecularWeight: 467.49108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N(C2(C(=O)OC)[NH+]3CCOCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N([C@]2(C(=O)OC)[NH+]3CCOCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H26N2O7/c1-3-34-19-11-9-17(10-12-19)21(28)20-22(29)23(30)27(18-7-5-4-6-8-18)25(20,24(31)32-2)26-13-15-33-16-14-26/h4-12,28H,3,13-16H2,1-2H3/p+1/t25-/m1/s1