2-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)carbamoyl]benzoic acid CAS Name: 2-[[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)carbamoyl]benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=COC2=C1C(CCC2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H17NO4/c1-10-9-22-14-8-4-7-13(15(10)14)18-16(19)11-5-2-3-6-12(11)17(20)21/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,18,19)(H,20,21)