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4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid

4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name:4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid
Openeye Name:4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid
CAS Name:4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid
IUPAC Name:4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid
Traditional Name:4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid
Formula: C18H18N2O4
MolecularWeight: 326.34652
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(O2)C(=O)O)C(=C1)OCCCNCC3=CN=CC=C3


Isomeric SMILES

C1=CC2=C(C=C(O2)C(=O)O)C(=C1)OCCCNCC3=CN=CC=C3


InChI

InChI=1S/C18H18N2O4/c21-18(22)17-10-14-15(5-1-6-16(14)24-17)23-9-3-8-20-12-13-4-2-7-19-11-13/h1-2,4-7,10-11,20H,3,8-9,12H2,(H,21,22)


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