1-[4-(3-cyano-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[4-(3-cyano-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[4-(3-cyano-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[4-(3-cyano-4-heptoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(3-cyano-4-heptoxyphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-methylvaleric acid 1-[4-(3-cyano-4-heptoxy-phenyl)phenyl]ethyl ester Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CC)C#N

InChI

InChI=1S/C28H37NO3/c1-5-7-8-9-10-17-31-27-16-15-25(19-26(27)20-29)24-13-11-23(12-14-24)22(4)32-28(30)18-21(3)6-2/h11-16,19,21-22H,5-10,17-18H2,1-4H3