7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid hydrochloride

Systemtic Name: 7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid hydrochloride Openeye Name: 7-methyl-3-[(4-pyridylamino)methyl]benzofuran-2-carboxylic acid hydrochloride CAS Name: 7-methyl-3-[(pyridin-4-ylamino)methyl]-2-benzofurancarboxylic acid hydrochloride IUPAC Name: 7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid hydrochloride Traditional Name: 7-methyl-3-[(4-pyridylamino)methyl]coumarilic acid hydrochloride Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C2CNC3=CC=NC=C3)C(=O)O.Cl

Isomeric SMILES

CC1=CC=CC2=C1OC(=C2CNC3=CC=NC=C3)C(=O)O.Cl

InChI

InChI=1S/C16H14N2O3.ClH/c1-10-3-2-4-12-13(15(16(19)20)21-14(10)12)9-18-11-5-7-17-8-6-11;/h2-8H,9H2,1H3,(H,17,18)(H,19,20);1H