[(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] benzoate

Systemtic Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] benzoate Openeye Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] benzoate CAS Name: benzoic acid [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] ester IUPAC Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] benzoate Traditional Name: benzoic acid [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

C1C#CC=CC(C#CCN1CCO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C#C/C=C\C(C#CCN1CCO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO3/c20-15-14-19-12-6-2-5-10-17(11-7-13-19)22-18(21)16-8-3-1-4-9-16/h1,3-5,8-10,17,20H,12-15H2/b10-5-