(2-cyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate CAS Name: 4-[7-(1-oxoprop-2-enoxy)heptyl]benzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate Traditional Name: 4-(7-acryloyloxyheptyl)benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO4/c1-3-5-9-13-24-16-19-27(26(21-24)22-30)34-29(32)25-17-14-23(15-18-25)12-10-7-6-8-11-20-33-28(31)4-2/h4,14-19,21H,2-3,5-13,20H2,1H3