[(2R)-2-(hydroxymethyl)-7-(phenylmethoxycarbonylamino)heptyl] 4-tert-butylbenzoate

Systemtic Name: [(2R)-2-(hydroxymethyl)-7-(phenylmethoxycarbonylamino)heptyl] 4-tert-butylbenzoate Openeye Name: [(2R)-7-(benzyloxycarbonylamino)-2-(hydroxymethyl)heptyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2R)-2-(hydroxymethyl)-7-(phenylmethoxycarbonylamino)heptyl] ester IUPAC Name: [(2R)-2-(hydroxymethyl)-7-(phenylmethoxycarbonylamino)heptyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2R)-7-(benzyloxycarbonylamino)-2-methylol-heptyl] ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(CCCCCNC(=O)OCC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC[C@H](CCCCCNC(=O)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C27H37NO5/c1-27(2,3)24-15-13-23(14-16-24)25(30)32-20-22(18-29)12-8-5-9-17-28-26(31)33-19-21-10-6-4-7-11-21/h4,6-7,10-11,13-16,22,29H,5,8-9,12,17-20H2,1-3H3,(H,28,31)/t22-/m1/s1