(phenylmethyl) (2R,3R)-2-[2-(4-butoxyphenyl)ethanoylamino]-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) (2R,3R)-2-[2-(4-butoxyphenyl)ethanoylamino]-3-oxidanyl-butanoate Openeye Name: benzyl (2R,3R)-2-[[2-(4-butoxyphenyl)acetyl]amino]-3-hydroxy-butanoate CAS Name: (2R,3R)-2-[[2-(4-butoxyphenyl)-1-oxoethyl]amino]-3-hydroxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3R)-2-[[2-(4-butoxyphenyl)acetyl]amino]-3-hydroxybutanoate Traditional Name: (2R,3R)-2-[[2-(4-butoxyphenyl)acetyl]amino]-3-hydroxy-butyric acid benzyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)NC(C(C)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N[C@H]([C@@H](C)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5/c1-3-4-14-28-20-12-10-18(11-13-20)15-21(26)24-22(17(2)25)23(27)29-16-19-8-6-5-7-9-19/h5-13,17,22,25H,3-4,14-16H2,1-2H3,(H,24,26)/t17-,22-/m1/s1