2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl benzoate

Systemtic Name: 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl benzoate Openeye Name: 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl benzoate CAS Name: benzoic acid 2-[methyl-[(E)-1-oxodocos-13-enyl]amino]ethyl ester IUPAC Name: 2-[[(E)-docos-13-enoyl]-methylamino]ethyl benzoate Traditional Name: benzoic acid 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl ester Formula: C32H53NO3 MolecularWeight: 499.76812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C32H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31(34)33(2)28-29-36-32(35)30-25-22-21-23-26-30/h10-11,21-23,25-26H,3-9,12-20,24,27-29H2,1-2H3/b11-10+