tert-butyl N-[(2S,3R)-6-oxidanylidene-1,3-bis(phenylmethoxy)octadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-6-oxidanylidene-1,3-bis(phenylmethoxy)octadecan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-benzyloxy-1-(benzyloxymethyl)-5-oxo-heptadecyl]carbamate CAS Name: N-[(2S,3R)-6-oxo-1,3-bis(phenylmethoxy)octadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-6-oxo-1,3-bis(phenylmethoxy)octadecan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-benzoxy-1-(benzoxymethyl)-5-keto-heptadecyl]carbamic acid tert-butyl ester Formula: C37H57NO5 MolecularWeight: 595.85218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)CCC(C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC(=O)CC[C@H]([C@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C37H57NO5/c1-5-6-7-8-9-10-11-12-13-20-25-33(39)26-27-35(42-29-32-23-18-15-19-24-32)34(38-36(40)43-37(2,3)4)30-41-28-31-21-16-14-17-22-31/h14-19,21-24,34-35H,5-13,20,25-30H2,1-4H3,(H,38,40)/t34-,35+/m0/s1