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

Systemtic Name: (phenylmethyl) N-[(2S)-6,9-bis(oxidanylidene)tridecan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-5,8-dioxo-dodecyl]carbamate CAS Name: N-[(2S)-6,9-dioxotridecan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6,9-dioxotridecan-2-yl]carbamate Traditional Name: N-[(1S)-5,8-diketo-1-methyl-dodecyl]carbamic acid benzyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-3-4-12-19(23)14-15-20(24)13-8-9-17(2)22-21(25)26-16-18-10-6-5-7-11-18/h5-7,10-11,17H,3-4,8-9,12-16H2,1-2H3,(H,22,25)/t17-/m0/s1