[(2R)-2-(hydroxymethyl)-4-(4-octylphenyl)-2-(phenylmethoxycarbonylamino)butyl] ethanoate

Systemtic Name: [(2R)-2-(hydroxymethyl)-4-(4-octylphenyl)-2-(phenylmethoxycarbonylamino)butyl] ethanoate Openeye Name: [(2R)-2-(benzyloxycarbonylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] acetate CAS Name: acetic acid [(2R)-2-(hydroxymethyl)-4-(4-octylphenyl)-2-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: [(2R)-2-(hydroxymethyl)-4-(4-octylphenyl)-2-(phenylmethoxycarbonylamino)butyl] acetate Traditional Name: acetic acid [(2R)-2-(benzyloxycarbonylamino)-2-methylol-4-(4-octylphenyl)butyl] ester Formula: C29H41NO5 MolecularWeight: 483.63954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COC(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CC[C@@](CO)(COC(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H41NO5/c1-3-4-5-6-7-9-12-25-15-17-26(18-16-25)19-20-29(22-31,23-35-24(2)32)30-28(33)34-21-27-13-10-8-11-14-27/h8,10-11,13-18,31H,3-7,9,12,19-23H2,1-2H3,(H,30,33)/t29-/m1/s1