2-[4-(dihexylamino)phenyl]-2-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(dihexylamino)phenyl]-2-oxidanyl-propanoic acid Openeye Name: 2-[4-(dihexylamino)phenyl]-2-hydroxy-propanoic acid CAS Name: 2-[4-(dihexylamino)phenyl]-2-hydroxypropanoic acid IUPAC Name: 2-[4-(dihexylamino)phenyl]-2-hydroxypropanoic acid Traditional Name: 2-[4-(dihexylamino)phenyl]-2-hydroxy-propionic acid Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C(C)(C(=O)O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C(C)(C(=O)O)O

InChI

InChI=1S/C21H35NO3/c1-4-6-8-10-16-22(17-11-9-7-5-2)19-14-12-18(13-15-19)21(3,25)20(23)24/h12-15,25H,4-11,16-17H2,1-3H3,(H,23,24)