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

Systemtic Name: 7-[4-[2-(6-cyanonaphthalen-2-yl)ethynyl]phenyl]heptyl 2-ethoxyethanoate Openeye Name: 7-[4-[2-(6-cyano-2-naphthyl)ethynyl]phenyl]heptyl 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid 7-[4-[2-(6-cyano-2-naphthalenyl)ethynyl]phenyl]heptyl ester IUPAC Name: 7-[4-[2-(6-cyanonaphthalen-2-yl)ethynyl]phenyl]heptyl 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid 7-[4-[2-(6-cyano-2-naphthyl)ethynyl]phenyl]heptyl ester Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OCCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C#N

Isomeric SMILES

CCOCC(=O)OCCCCCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C#N

InChI

InChI=1S/C30H31NO3/c1-2-33-23-30(32)34-19-7-5-3-4-6-8-24-9-11-25(12-10-24)13-14-26-15-17-29-21-27(22-31)16-18-28(29)20-26/h9-12,15-18,20-21H,2-8,19,23H2,1H3