ethyl 7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 7-methyl-3-[(4-pyridylamino)methyl]benzofuran-2-carboxylate CAS Name: 7-methyl-3-[(pyridin-4-ylamino)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3-[(pyridin-4-ylamino)methyl]-1-benzofuran-2-carboxylate Traditional Name: 7-methyl-3-[(4-pyridylamino)methyl]coumarilic acid ethyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C(=CC=C2)C)CNC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C(=CC=C2)C)CNC3=CC=NC=C3

InChI

InChI=1S/C18H18N2O3/c1-3-22-18(21)17-15(11-20-13-7-9-19-10-8-13)14-6-4-5-12(2)16(14)23-17/h4-10H,3,11H2,1-2H3,(H,19,20)