[4-(4-pentylphenoxy)carbonylphenyl] 3-cyano-4-pentoxy-benzoate

Systemtic Name: [4-(4-pentylphenoxy)carbonylphenyl] 3-cyano-4-pentoxy-benzoate Openeye Name: [4-(4-pentylphenoxy)carbonylphenyl] 3-cyano-4-pentoxy-benzoate CAS Name: 3-cyano-4-pentoxybenzoic acid [4-[oxo-(4-pentylphenoxy)methyl]phenyl] ester IUPAC Name: [4-(4-pentylphenoxy)carbonylphenyl] 3-cyano-4-pentoxybenzoate Traditional Name: 4-amoxy-3-cyano-benzoic acid [4-(4-amylphenoxy)carbonylphenyl] ester Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)C#N

InChI

InChI=1S/C31H33NO5/c1-3-5-7-9-23-10-15-27(16-11-23)36-30(33)24-12-17-28(18-13-24)37-31(34)25-14-19-29(26(21-25)22-32)35-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3