1-[4-(3-cyano-4-heptyl-phenyl)phenyl]ethyl 5-methylheptanoate

Systemtic Name: 1-[4-(3-cyano-4-heptyl-phenyl)phenyl]ethyl 5-methylheptanoate Openeye Name: 1-[4-(3-cyano-4-heptyl-phenyl)phenyl]ethyl 5-methylheptanoate CAS Name: 5-methylheptanoic acid 1-[4-(3-cyano-4-heptylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(3-cyano-4-heptylphenyl)phenyl]ethyl 5-methylheptanoate Traditional Name: 5-methylenanthic acid 1-[4-(3-cyano-4-heptyl-phenyl)phenyl]ethyl ester Formula: C30H41NO2 MolecularWeight: 447.65204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC)C#N

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC)C#N

InChI

InChI=1S/C30H41NO2/c1-5-7-8-9-10-13-26-19-20-28(21-29(26)22-31)27-17-15-25(16-18-27)24(4)33-30(32)14-11-12-23(3)6-2/h15-21,23-24H,5-14H2,1-4H3