2-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]cyclopropane-1-carboxylic acid Openeye Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarboxylic acid CAS Name: 2-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid Traditional Name: 2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarboxylic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)C3CC3C(=O)O)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)C3CC3C(=O)O)O)O

InChI

InChI=1S/C15H17NO5/c1-7-9-6-13(18)12(17)4-8(9)2-3-16(7)14(19)10-5-11(10)15(20)21/h4,6-7,10-11,17-18H,2-3,5H2,1H3,(H,20,21)