methyl (E)-3-[(3-cyanophenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enoate

Systemtic Name: methyl (E)-3-[(3-cyanophenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enoate Openeye Name: methyl (E)-3-[(3-cyanophenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enoate CAS Name: (E)-3-[(3-cyanophenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3-cyanophenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enoate Traditional Name: (E)-3-(3-cyanobenzyl)-5-[2-(5-phenylpentoxy)phenyl]pent-4-enoic acid methyl ester Formula: C31H33NO3 MolecularWeight: 467.59862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO3/c1-34-31(33)23-27(21-26-14-10-15-28(22-26)24-32)18-19-29-16-7-8-17-30(29)35-20-9-3-6-13-25-11-4-2-5-12-25/h2,4-5,7-8,10-12,14-19,22,27H,3,6,9,13,20-21,23H2,1H3/b19-18+