2-(2,5-dimethylfuran-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,5-dimethylfuran-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,5-dimethylfuran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2,5-dimethyl-3-furanyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,5-dimethylfuran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C17H17NO4/c1-10-7-14(11(2)22-10)16(19)18-9-13-6-4-3-5-12(13)8-15(18)17(20)21/h3-7,15H,8-9H2,1-2H3,(H,20,21)