3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl 2-methylbutanoate

Systemtic Name: 3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl 2-methylbutanoate Openeye Name: 3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl ester IUPAC Name: 3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 3-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]propyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)C(=O)OCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H23NO3/c1-3-18(2)23(25)27-16-4-15-26-22-13-11-20(12-14-22)6-5-19-7-9-21(17-24)10-8-19/h7-14,18H,3-4,15-16H2,1-2H3