3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(3-phenylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)OCCCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)OCCCC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H25NO3/c23-21(24)11-13-22-12-10-18-15-20(9-8-19(18)16-22)25-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,23,24)