(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid (1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl) 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C34H43NO4 MolecularWeight: 529.70952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCC)C#N

InChI

InChI=1S/C34H43NO4/c1-4-6-8-11-15-27(3)38-32-19-18-30(25-31(32)26-35)33(36)39-34(37-24-14-9-7-5-2)22-20-29(21-23-34)28-16-12-10-13-17-28/h10,12-13,16-23,25,27,29H,4-9,11,14-15,24H2,1-3H3