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

Systemtic Name: (phenylmethyl) 3-[5-azanyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-phenoxy]propanoate Openeye Name: benzyl 3-[5-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]propanoate CAS Name: 3-[5-amino-4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxyphenoxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[5-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxyphenoxy]propanoate Traditional Name: 3-[5-amino-2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]phenoxy]propionic acid benzyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)N)OCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-29-20-12-18(23(28)25-10-5-8-17(25)14-26)19(24)13-21(20)30-11-9-22(27)31-15-16-6-3-2-4-7-16/h2-4,6-7,12-13,17,26H,5,8-11,14-15,24H2,1H3/t17-/m0/s1