ethyl 2-cyano-5-hexyl-2-phenyl-undec-4-enoate

Systemtic Name: ethyl 2-cyano-5-hexyl-2-phenyl-undec-4-enoate Openeye Name: ethyl 2-cyano-5-hexyl-2-phenyl-undec-4-enoate CAS Name: 2-cyano-5-hexyl-2-phenyl-4-undecenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-hexyl-2-phenylundec-4-enoate Traditional Name: 2-cyano-5-hexyl-2-phenyl-undec-4-enoic acid ethyl ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CCC(C#N)(C1=CC=CC=C1)C(=O)OCC)CCCCCC

Isomeric SMILES

CCCCCCC(=CCC(C#N)(C1=CC=CC=C1)C(=O)OCC)CCCCCC

InChI

InChI=1S/C26H39NO2/c1-4-7-9-12-16-23(17-13-10-8-5-2)20-21-26(22-27,25(28)29-6-3)24-18-14-11-15-19-24/h11,14-15,18-20H,4-10,12-13,16-17,21H2,1-3H3