3-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-(3-pyridylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-(3-pyridylmethyl)coumarilic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C16H13NO3/c1-10-13-8-11(7-12-3-2-6-17-9-12)4-5-14(13)20-15(10)16(18)19/h2-6,8-9H,7H2,1H3,(H,18,19)