(phenylmethyl) N-[(4S)-3-methyl-5-oxidanylidene-tridecan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S)-3-methyl-5-oxidanylidene-tridecan-4-yl]carbamate Openeye Name: benzyl N-[(1S)-2-oxo-1-sec-butyl-decyl]carbamate CAS Name: N-[(4S)-3-methyl-5-oxotridecan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-3-methyl-5-oxotridecan-4-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-sec-butyl-decyl]carbamic acid benzyl ester Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3/c1-4-6-7-8-9-13-16-20(24)21(18(3)5-2)23-22(25)26-17-19-14-11-10-12-15-19/h10-12,14-15,18,21H,4-9,13,16-17H2,1-3H3,(H,23,25)/t18?,21-/m0/s1