2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl pyridine-3-carboxylate

Systemtic Name: 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl pyridine-3-carboxylate Openeye Name: 2-(4,4-dimethylchroman-6-yl)ethynyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(4,4-dimethylchroman-6-yl)ethynyl ester Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C#COC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)C#COC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C19H17NO3/c1-19(2)8-11-22-17-6-5-14(12-16(17)19)7-10-23-18(21)15-4-3-9-20-13-15/h3-6,9,12-13H,8,11H2,1-2H3