(3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate

Systemtic Name: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate Openeye Name: (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) ester IUPAC Name: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CN=CC=C3)(C)C

Isomeric SMILES

CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CN=CC=C3)(C)C

InChI

InChI=1S/C20H25NO2/c1-13-7-8-16-14(2)10-18(20(3,4)11-17(13)16)23-19(22)15-6-5-9-21-12-15/h5-6,9,12,16,18H,2,7-8,10-11H2,1,3-4H3