2-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid Openeye Name: 2-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-4-(tetrahydrofuran-3-ylamino)pyridine-3-carboxylic acid CAS Name: 2-[(4-chloro-2,6-dimethylphenoxy)methyl]-4-(3-oxolanylamino)-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-chloro-2,6-dimethylphenoxy)methyl]-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid Traditional Name: 2-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-4-(tetrahydrofuran-3-ylamino)nicotinic acid Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=NC=CC(=C2C(=O)O)NC3CCOC3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=NC=CC(=C2C(=O)O)NC3CCOC3)C)Cl

InChI

InChI=1S/C19H21ClN2O4/c1-11-7-13(20)8-12(2)18(11)26-10-16-17(19(23)24)15(3-5-21-16)22-14-4-6-25-9-14/h3,5,7-8,14H,4,6,9-10H2,1-2H3,(H,21,22)(H,23,24)