3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(5-phenylpentoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)OCCCCCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)OCCCCCC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H29NO3/c25-23(26)13-15-24-14-12-20-17-22(11-10-21(20)18-24)27-16-6-2-5-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,25,26)