(2E)-1-cycloheptyl-2-[7-(hydroxymethyl)-3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone

Systemtic Name: (2E)-1-cycloheptyl-2-[7-(hydroxymethyl)-3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone Openeye Name: (2E)-1-cycloheptyl-2-[7-(hydroxymethyl)-3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone CAS Name: (2E)-1-cycloheptyl-2-[7-(hydroxymethyl)-3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone IUPAC Name: (2E)-1-cycloheptyl-2-[7-(hydroxymethyl)-3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone Traditional Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-methylol-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3CCCCCC3)(C)C)CO

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3CCCCCC3)(C)C)CO

InChI

InChI=1S/C22H31NO2/c1-15-10-17-13-22(2,3)23-20(19(17)11-18(15)14-24)12-21(25)16-8-6-4-5-7-9-16/h10-12,16,23-24H,4-9,13-14H2,1-3H3/b20-12+