2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methyl-pentanoic acid Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-methyl-pentanoic acid CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylpentanoic acid IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylpentanoic acid Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-methyl-valeric acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)N1CCC2=CC=CC=C2C1)C(=O)O

Isomeric SMILES

CC(C)CC(CC(=O)N1CCC2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C17H23NO3/c1-12(2)9-15(17(20)21)10-16(19)18-8-7-13-5-3-4-6-14(13)11-18/h3-6,12,15H,7-11H2,1-2H3,(H,20,21)