5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]furan-2-carboxylic acid

Systemtic Name: 5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]furan-2-carboxylic acid Openeye Name: 5-[5-(4-methoxy-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]furan-2-carboxylic acid CAS Name: 5-[5-(4-methoxy-7-propyl-2-benzofuranyl)-1H-pyrrol-2-yl]-2-furancarboxylic acid IUPAC Name: 5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]furan-2-carboxylic acid Traditional Name: 5-[5-(4-methoxy-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]-2-furoic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=CC=C(O4)C(=O)O

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=CC=C(O4)C(=O)O

InChI

InChI=1S/C21H19NO5/c1-3-4-12-5-8-16(25-2)13-11-19(27-20(12)13)15-7-6-14(22-15)17-9-10-18(26-17)21(23)24/h5-11,22H,3-4H2,1-2H3,(H,23,24)