ethyl 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]ethanoyl]benzoate

Systemtic Name: ethyl 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]ethanoyl]benzoate Openeye Name: ethyl 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]acetyl]benzoate CAS Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-1-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]acetyl]benzoate Traditional Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]acetyl]benzoic acid ethyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)CN(C)CC=CC#CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)CN(C)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C21H27NO3/c1-6-25-20(24)18-12-10-17(11-13-18)19(23)16-22(5)15-9-7-8-14-21(2,3)4/h7,9-13H,6,15-16H2,1-5H3/b9-7+