methyl (2S)-2-[(2-oxidanyl-3-phenoxy-propyl)amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(2-oxidanyl-3-phenoxy-propyl)amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S)-3-(4-benzyloxyphenyl)-2-[(2-hydroxy-3-phenoxy-propyl)amino]propanoate CAS Name: (2S)-2-[(2-hydroxy-3-phenoxypropyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-hydroxy-3-phenoxypropyl)amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[(2-hydroxy-3-phenoxy-propyl)amino]propionic acid methyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO5/c1-30-26(29)25(27-17-22(28)19-32-23-10-6-3-7-11-23)16-20-12-14-24(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,22,25,27-28H,16-19H2,1H3/t22?,25-/m0/s1