(phenylmethyl) 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]propanoate

Systemtic Name: (phenylmethyl) 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-nitro-phenoxy]propanoate Openeye Name: benzyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitro-phenoxy]propanoate CAS Name: 3-[4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-nitrophenoxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]propanoate Traditional Name: 3-[2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]-5-nitro-phenoxy]propionic acid benzyl ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)[N+](=O)[O-])OCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2CO)[N+](=O)[O-])OCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O8/c1-31-20-12-18(23(28)24-10-5-8-17(24)14-26)19(25(29)30)13-21(20)32-11-9-22(27)33-15-16-6-3-2-4-7-16/h2-4,6-7,12-13,17,26H,5,8-11,14-15H2,1H3/t17-/m0/s1