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

Systemtic Name: (4-cyanophenyl) (2S)-2-heptyl-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: (4-cyanophenyl) (2S)-2-heptylchromane-6-carboxylate CAS Name: (2S)-2-heptyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (2S)-2-heptyl-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: (2S)-2-heptylchroman-6-carboxylic acid (4-cyanophenyl) ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC[C@H]1CCC2=C(O1)C=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27NO3/c1-2-3-4-5-6-7-21-14-10-19-16-20(11-15-23(19)27-21)24(26)28-22-12-8-18(17-25)9-13-22/h8-9,11-13,15-16,21H,2-7,10,14H2,1H3/t21-/m0/s1