3-[6-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[(4-cyclohexyl-3-ethylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-cyclohexyl-3-ethylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4CCCCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4CCCCC4

InChI

InChI=1S/C27H35NO3/c1-2-21-17-25(10-11-26(21)22-6-4-3-5-7-22)31-19-20-8-9-24-18-28(15-13-27(29)30)14-12-23(24)16-20/h8-11,16-17,22H,2-7,12-15,18-19H2,1H3,(H,29,30)