5-[[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]methyl]furan-3-carboxylic acid

Systemtic Name: 5-[[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]methyl]furan-3-carboxylic acid Openeye Name: 5-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid CAS Name: 5-[[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]methyl]-3-furancarboxylic acid IUPAC Name: 5-[[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid Traditional Name: 5-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]methyl]-3-furoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)CCCC2)C(=O)NCC3=CC(=CO3)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)CCCC2)C(=O)NCC3=CC(=CO3)C(=O)O

InChI

InChI=1S/C16H17NO5/c1-9-14(12-4-2-3-5-13(12)22-9)15(18)17-7-11-6-10(8-21-11)16(19)20/h6,8H,2-5,7H2,1H3,(H,17,18)(H,19,20)