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1-[4-(3-cyano-4-octyl-phenyl)phenyl]ethyl 2-butoxypropanoate

1-[4-(3-cyano-4-octyl-phenyl)phenyl]ethyl 2-butoxypropanoate

Systemtic Name:1-[4-(3-cyano-4-octyl-phenyl)phenyl]ethyl 2-butoxypropanoate
Openeye Name:1-[4-(3-cyano-4-octyl-phenyl)phenyl]ethyl 2-butoxypropanoate
CAS Name:2-butoxypropanoic acid 1-[4-(3-cyano-4-octylphenyl)phenyl]ethyl ester
IUPAC Name:1-[4-(3-cyano-4-octylphenyl)phenyl]ethyl 2-butoxypropanoate
Traditional Name:2-butoxypropionic acid 1-[4-(3-cyano-4-octyl-phenyl)phenyl]ethyl ester
Formula: C30H41NO3
MolecularWeight: 463.65144
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)C(C)OCCCC)C#N


Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)C(C)OCCCC)C#N


InChI

InChI=1S/C30H41NO3/c1-5-7-9-10-11-12-13-26-18-19-28(21-29(26)22-31)27-16-14-25(15-17-27)23(3)34-30(32)24(4)33-20-8-6-2/h14-19,21,23-24H,5-13,20H2,1-4H3


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