3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methyl-benzoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-2-methyl-benzoic acid CAS Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-2-methylbenzoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylbenzoic acid Traditional Name: 3-(coumaran-5-ylmethylamino)-2-methyl-benzoic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=CC3=C(C=C2)OCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CC3=C(C=C2)OCC3)C(=O)O

InChI

InChI=1S/C17H17NO3/c1-11-14(17(19)20)3-2-4-15(11)18-10-12-5-6-16-13(9-12)7-8-21-16/h2-6,9,18H,7-8,10H2,1H3,(H,19,20)