7-[4-[2-(6-cyanonaphthalen-2-yl)ethynyl]phenyl]heptyl oxirane-2-carboxylate

Systemtic Name: 7-[4-[2-(6-cyanonaphthalen-2-yl)ethynyl]phenyl]heptyl oxirane-2-carboxylate Openeye Name: 7-[4-[2-(6-cyano-2-naphthyl)ethynyl]phenyl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[4-[2-(6-cyano-2-naphthalenyl)ethynyl]phenyl]heptyl ester IUPAC Name: 7-[4-[2-(6-cyanonaphthalen-2-yl)ethynyl]phenyl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[4-[2-(6-cyano-2-naphthyl)ethynyl]phenyl]heptyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C(=O)OCCCCCCCC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)C#N

Isomeric SMILES

C1C(O1)C(=O)OCCCCCCCC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)C#N

InChI

InChI=1S/C29H27NO3/c30-20-25-14-16-26-18-24(13-15-27(26)19-25)12-11-23-9-7-22(8-10-23)6-4-2-1-3-5-17-32-29(31)28-21-33-28/h7-10,13-16,18-19,28H,1-6,17,21H2