(phenylmethyl) N-[(4S,5S)-3-methyl-5-oxidanyl-nonan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S,5S)-3-methyl-5-oxidanyl-nonan-4-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-hydroxy-1-sec-butyl-hexyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxy-3-methylnonan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxy-3-methylnonan-4-yl]carbamate Traditional Name: N-[(1S,2S)-2-hydroxy-1-sec-butyl-hexyl]carbamic acid benzyl ester Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)CC)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCC[C@@H]([C@H](C(C)CC)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C18H29NO3/c1-4-6-12-16(20)17(14(3)5-2)19-18(21)22-13-15-10-8-7-9-11-15/h7-11,14,16-17,20H,4-6,12-13H2,1-3H3,(H,19,21)/t14?,16-,17-/m0/s1