3-heptyl-2-octyl-oxane; 3-pyridin-3-yl-1H-indole

Systemtic Name: 3-heptyl-2-octyl-oxane; 3-pyridin-3-yl-1H-indole Openeye Name: 3-heptyl-2-octyl-tetrahydropyran; 3-(3-pyridyl)-1H-indole CAS Name: 3-heptyl-2-octyloxane; 3-(3-pyridinyl)-1H-indole IUPAC Name: 3-heptyl-2-octyloxane; 3-pyridin-3-yl-1H-indole Traditional Name: 3-heptyl-2-octyl-tetrahydropyran; 3-(3-pyridyl)-1H-indole Formula: C33H50N2O MolecularWeight: 490.7629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCCO1)CCCCCCC.C1=CC=C2C(=C1)C(=CN2)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCC1C(CCCO1)CCCCCCC.C1=CC=C2C(=C1)C(=CN2)C3=CN=CC=C3

InChI

InChI=1S/C20H40O.C13H10N2/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2;1-2-6-13-11(5-1)12(9-15-13)10-4-3-7-14-8-10/h19-20H,3-18H2,1-2H3;1-9,15H