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

Systemtic Name: (4-cyanophenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: (4-cyanophenyl) 2-hexylchromane-6-carboxylate CAS Name: 2-hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 2-hexylchroman-6-carboxylic acid (4-cyanophenyl) ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25NO3/c1-2-3-4-5-6-20-13-9-18-15-19(10-14-22(18)26-20)23(25)27-21-11-7-17(16-24)8-12-21/h7-8,10-12,14-15,20H,2-6,9,13H2,1H3