ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline

Systemtic Name: ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline Openeye Name: ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline CAS Name: ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline IUPAC Name: ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline Traditional Name: ethanol; 1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-ylmethyl)isoquinoline Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC=C2C(=C1)C=CN=C2CC3=C4C=CC(=C3)O4

Isomeric SMILES

CCO.C1=CC=C2C(=C1)C=CN=C2CC3=C4C=CC(=C3)O4

InChI

InChI=1S/C16H11NO.C2H6O/c1-2-4-14-11(3-1)7-8-17-15(14)10-12-9-13-5-6-16(12)18-13;1-2-3/h1-9H,10H2;3H,2H2,1H3