3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)naphthalen-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)naphthalen-2-yl]phenyl]propanoic acid Openeye Name: 3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)-2-naphthyl]phenyl]propanoic acid CAS Name: 3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)-2-naphthalenyl]phenyl]propanoic acid IUPAC Name: 3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)naphthalen-2-yl]phenyl]propanoic acid Traditional Name: 3-[2-(cyclohexylmethoxy)-3-[6-(2-hydroxyethylamino)-2-naphthyl]phenyl]propionic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=CC=C2CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)NCCO

Isomeric SMILES

C1CCC(CC1)COC2=C(C=CC=C2CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)NCCO

InChI

InChI=1S/C28H33NO4/c30-16-15-29-25-13-11-22-17-24(10-9-23(22)18-25)26-8-4-7-21(12-14-27(31)32)28(26)33-19-20-5-2-1-3-6-20/h4,7-11,13,17-18,20,29-30H,1-3,5-6,12,14-16,19H2,(H,31,32)