(4-cyanophenyl) 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate

Systemtic Name: (4-cyanophenyl) 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: (4-cyanophenyl) 2-undecylchromane-6-carboxylate CAS Name: 2-undecyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-undecyl-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-undecylchroman-6-carboxylic acid (4-cyanophenyl) ester Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H35NO3/c1-2-3-4-5-6-7-8-9-10-11-25-18-14-23-20-24(15-19-27(23)31-25)28(30)32-26-16-12-22(21-29)13-17-26/h12-13,15-17,19-20,25H,2-11,14,18H2,1H3