methyl N-[(2S,3R)-3-oxidanyl-5-oxidanylidene-1-phenyl-tetradecan-2-yl]carbamate

Systemtic Name: methyl N-[(2S,3R)-3-oxidanyl-5-oxidanylidene-1-phenyl-tetradecan-2-yl]carbamate Openeye Name: methyl N-[(1S,2R)-1-benzyl-2-hydroxy-4-oxo-tridecyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-5-oxo-1-phenyltetradecan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S,3R)-3-hydroxy-5-oxo-1-phenyltetradecan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-4-keto-tridecyl]carbamic acid methyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)CC(C(CC1=CC=CC=C1)NC(=O)OC)O

Isomeric SMILES

CCCCCCCCCC(=O)C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC)O

InChI

InChI=1S/C22H35NO4/c1-3-4-5-6-7-8-12-15-19(24)17-21(25)20(23-22(26)27-2)16-18-13-10-9-11-14-18/h9-11,13-14,20-21,25H,3-8,12,15-17H2,1-2H3,(H,23,26)/t20-,21+/m0/s1