(phenylmethyl) N-[(2S)-6-methylidene-9-oxidanylidene-tridecan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-methylidene-9-oxidanylidene-tridecan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-5-methylene-8-oxo-dodecyl]carbamate CAS Name: N-[(2S)-6-methylene-9-oxotridecan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6-methylidene-9-oxotridecan-2-yl]carbamate Traditional Name: N-[(1S)-5-(3-ketoheptyl)-1-methyl-hex-5-enyl]carbamic acid benzyl ester Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO3/c1-4-5-14-21(24)16-15-18(2)10-9-11-19(3)23-22(25)26-17-20-12-7-6-8-13-20/h6-8,12-13,19H,2,4-5,9-11,14-17H2,1,3H3,(H,23,25)/t19-/m0/s1