(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) pyridine-3-carboxylate

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) pyridine-3-carboxylate Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H21NO5/c1-14(25)27-21-18-10-11-23(2,3)29-19(18)16-8-4-5-9-17(16)20(21)28-22(26)15-7-6-12-24-13-15/h4-9,12-13H,10-11H2,1-3H3