(phenylmethyl) 3-[4-[4-(phenylmethyl)phenoxy]butan-2-ylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[4-[4-(phenylmethyl)phenoxy]butan-2-ylamino]propanoate Openeye Name: benzyl 3-[[3-(4-benzylphenoxy)-1-methyl-propyl]amino]propanoate CAS Name: 3-[4-[4-(phenylmethyl)phenoxy]butan-2-ylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(4-benzylphenoxy)butan-2-ylamino]propanoate Traditional Name: 3-[[3-(4-benzylphenoxy)-1-methyl-propyl]amino]propionic acid benzyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)CC2=CC=CC=C2)NCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)CC2=CC=CC=C2)NCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO3/c1-22(28-18-16-27(29)31-21-25-10-6-3-7-11-25)17-19-30-26-14-12-24(13-15-26)20-23-8-4-2-5-9-23/h2-15,22,28H,16-21H2,1H3