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

Systemtic Name: 3-[6-[(4-cyclohexyl-3-methyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[(4-cyclohexyl-3-methyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[(4-cyclohexyl-3-methylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-cyclohexyl-3-methylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[(4-cyclohexyl-3-methyl-phenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4CCCCC4

InChI

InChI=1S/C26H33NO3/c1-19-15-24(9-10-25(19)21-5-3-2-4-6-21)30-18-20-7-8-23-17-27(14-12-26(28)29)13-11-22(23)16-20/h7-10,15-16,21H,2-6,11-14,17-18H2,1H3,(H,28,29)