2-[3-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-methyl-cyclohexyl]propanoic acid

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-methyl-cyclohexyl]propanoic acid Openeye Name: 2-[3-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-methyl-cyclohexyl]propanoic acid CAS Name: 2-[3-[(4-methoxyphenyl)methyl-phenethylamino]-1-methylcyclohexyl]propanoic acid IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl-phenethylamino]-1-methylcyclohexyl]propanoic acid Traditional Name: 2-[1-methyl-3-[p-anisyl(phenethyl)amino]cyclohexyl]propionic acid Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(CCCC(C1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC(C(=O)O)C1(CCCC(C1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C26H35NO3/c1-20(25(28)29)26(2)16-7-10-23(18-26)27(17-15-21-8-5-4-6-9-21)19-22-11-13-24(30-3)14-12-22/h4-6,8-9,11-14,20,23H,7,10,15-19H2,1-3H3,(H,28,29)