methyl 1-[(E)-docos-13-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(E)-docos-13-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(E)-docos-13-enoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(E)-1-oxodocos-13-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-docos-13-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(E)-docos-13-enoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C28H51NO3 MolecularWeight: 449.70944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)N1CCCC1C(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N1CCCC1C(=O)OC

InChI

InChI=1S/C28H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(30)29-25-22-23-26(29)28(31)32-2/h10-11,26H,3-9,12-25H2,1-2H3/b11-10+