methyl (E)-6-[(3-cyanophenyl)methyl]-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoate

Systemtic Name: methyl (E)-6-[(3-cyanophenyl)methyl]-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoate Openeye Name: methyl (E)-6-[(3-cyanophenyl)methyl]-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoate CAS Name: (E)-6-[(3-cyanophenyl)methyl]-8-[2-(5-phenylpentoxy)phenyl]-7-octenoic acid methyl ester IUPAC Name: methyl (E)-6-[(3-cyanophenyl)methyl]-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoate Traditional Name: (E)-6-(3-cyanobenzyl)-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoic acid methyl ester Formula: C34H39NO3 MolecularWeight: 509.67836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CC1=CC=CC(=C1)C#N)C=CC2=CC=CC=C2OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=CC(=C1)C#N)/C=C/C2=CC=CC=C2OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C34H39NO3/c1-37-34(36)21-10-7-16-29(25-30-17-12-18-31(26-30)27-35)22-23-32-19-8-9-20-33(32)38-24-11-3-6-15-28-13-4-2-5-14-28/h2,4-5,8-9,12-14,17-20,22-23,26,29H,3,6-7,10-11,15-16,21,24-25H2,1H3/b23-22+