5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-coumarilic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CN3CCC4=CC=CC=C4C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CN3CCC4=CC=CC=C4C3)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-13-17-10-14(6-7-18(17)24-19(13)20(22)23)11-21-9-8-15-4-2-3-5-16(15)12-21/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)