7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-heptanoic acid

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-heptanoic acid Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-heptanoic acid CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylheptanoic acid IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylheptanoic acid Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-enanthic acid Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCN1CCC2=CC=CC=C2C1)C(=O)O

Isomeric SMILES

CC(CCCCCN1CCC2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C17H25NO2/c1-14(17(19)20)7-3-2-6-11-18-12-10-15-8-4-5-9-16(15)13-18/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,20)