4,4-dimethyl-7-oxidanyl-8-(piperidin-1-ylmethyl)-3H-chromen-2-one; pyridine-4-carboxylic acid

Systemtic Name: 4,4-dimethyl-7-oxidanyl-8-(piperidin-1-ylmethyl)-3H-chromen-2-one; pyridine-4-carboxylic acid Openeye Name: 7-hydroxy-4,4-dimethyl-8-(1-piperidylmethyl)chroman-2-one; isonicotinic acid CAS Name: 7-hydroxy-4,4-dimethyl-8-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-2-one; 4-pyridinecarboxylic acid IUPAC Name: 7-hydroxy-4,4-dimethyl-8-(piperidin-1-ylmethyl)-3H-chromen-2-one; pyridine-4-carboxylic acid Traditional Name: 7-hydroxy-4,4-dimethyl-8-(piperidinomethyl)chroman-2-one; isonicotinic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O)C.C1=CN=CC=C1C(=O)O

Isomeric SMILES

CC1(CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O)C.C1=CN=CC=C1C(=O)O

InChI

InChI=1S/C17H23NO3.C6H5NO2/c1-17(2)10-15(20)21-16-12(14(19)7-6-13(16)17)11-18-8-4-3-5-9-18;8-6(9)5-1-3-7-4-2-5/h6-7,19H,3-5,8-11H2,1-2H3;1-4H,(H,8,9)