methyl (2S)-3-[4-(4-ethanoylphenoxy)phenyl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-[4-(4-ethanoylphenoxy)phenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(benzylamino)propanoate CAS Name: (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(benzylamino)propanoate Traditional Name: (2S)-3-[4-(4-acetylphenoxy)phenyl]-2-(benzylamino)propionic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C(=O)OC)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C[C@@H](C(=O)OC)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4/c1-18(27)21-10-14-23(15-11-21)30-22-12-8-19(9-13-22)16-24(25(28)29-2)26-17-20-6-4-3-5-7-20/h3-15,24,26H,16-17H2,1-2H3/t24-/m0/s1