[(E,2R)-1-benzamidotridec-5-en-2-yl] benzoate

Systemtic Name: [(E,2R)-1-benzamidotridec-5-en-2-yl] benzoate Openeye Name: [(E,1R)-1-(benzamidomethyl)dodec-4-enyl] benzoate CAS Name: benzoic acid [(E,2R)-1-benzamidotridec-5-en-2-yl] ester IUPAC Name: [(E,2R)-1-benzamidotridec-5-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-(benzamidomethyl)dodec-4-enyl] ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCC(CNC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC/C=C/CC[C@H](CNC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H35NO3/c1-2-3-4-5-6-7-8-9-16-21-25(31-27(30)24-19-14-11-15-20-24)22-28-26(29)23-17-12-10-13-18-23/h8-15,17-20,25H,2-7,16,21-22H2,1H3,(H,28,29)/b9-8+/t25-/m1/s1