3-(4-octadecanoyloxyphenyl)-2-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(4-octadecanoyloxyphenyl)-2-[(phenylmethyl)amino]propanoic acid Openeye Name: 2-(benzylamino)-3-(4-octadecanoyloxyphenyl)propanoic acid CAS Name: 3-[4-(1-oxooctadecoxy)phenyl]-2-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-(benzylamino)-3-(4-octadecanoyloxyphenyl)propanoic acid Traditional Name: 2-(benzylamino)-3-(4-stearoyloxyphenyl)propionic acid Formula: C34H51NO4 MolecularWeight: 537.77304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C34H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(36)39-31-25-23-29(24-26-31)27-32(34(37)38)35-28-30-20-17-16-18-21-30/h16-18,20-21,23-26,32,35H,2-15,19,22,27-28H2,1H3,(H,37,38)