6-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxylic acid

Systemtic Name: 6-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxylic acid Openeye Name: 6-(6-cyano-2,2-dimethyl-chroman-4-yl)pyridine-3-carboxylic acid CAS Name: 6-(6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-pyridinecarboxylic acid IUPAC Name: 6-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxylic acid Traditional Name: 6-(6-cyano-2,2-dimethyl-chroman-4-yl)nicotinic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)C#N)C3=NC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)C#N)C3=NC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H16N2O3/c1-18(2)8-14(15-5-4-12(10-20-15)17(21)22)13-7-11(9-19)3-6-16(13)23-18/h3-7,10,14H,8H2,1-2H3,(H,21,22)