(phenylmethyl) 2-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]oxy-3-(3-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]oxy-3-(3-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[(2S)-2-amino-2-cyclohexyl-acetyl]oxy-3-(3-hydroxyphenyl)propanoate CAS Name: 2-[(2S)-2-amino-2-cyclohexyl-1-oxoethoxy]-3-(3-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-2-amino-2-cyclohexylacetyl]oxy-3-(3-hydroxyphenyl)propanoate Traditional Name: 2-[(2S)-2-amino-2-cyclohexyl-acetyl]oxy-3-(3-hydroxyphenyl)propionic acid benzyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C24H29NO5/c25-22(19-11-5-2-6-12-19)24(28)30-21(15-18-10-7-13-20(26)14-18)23(27)29-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-14,19,21-22,26H,2,5-6,11-12,15-16,25H2/t21?,22-/m0/s1