(phenylmethyl) 3-[4-(octylamino)phenyl]propanoate

Systemtic Name: (phenylmethyl) 3-[4-(octylamino)phenyl]propanoate Openeye Name: benzyl 3-[4-(octylamino)phenyl]propanoate CAS Name: 3-[4-(octylamino)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(octylamino)phenyl]propanoate Traditional Name: 3-[4-(octylamino)phenyl]propionic acid benzyl ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H33NO2/c1-2-3-4-5-6-10-19-25-23-16-13-21(14-17-23)15-18-24(26)27-20-22-11-8-7-9-12-22/h7-9,11-14,16-17,25H,2-6,10,15,18-20H2,1H3