(phenylmethyl) N-[(E,2S)-6,9-bis(oxidanylidene)tridec-4-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(E,2S)-6,9-bis(oxidanylidene)tridec-4-en-2-yl]carbamate Openeye Name: benzyl N-[(E,1S)-1-methyl-5,8-dioxo-dodec-3-enyl]carbamate CAS Name: N-[(E,2S)-6,9-dioxotridec-4-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,2S)-6,9-dioxotridec-4-en-2-yl]carbamate Traditional Name: N-[(E,1S)-5,8-diketo-1-methyl-dodec-3-enyl]carbamic acid benzyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/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/h5-8,10-11,13,17H,3-4,9,12,14-16H2,1-2H3,(H,22,25)/b13-8+/t17-/m0/s1