methyl 3-(5-chloranyl-2-phenylmethoxy-phenyl)-3-oxidanyl-2-[[(phenylmethyl)amino]methyl]propanoate

Systemtic Name: methyl 3-(5-chloranyl-2-phenylmethoxy-phenyl)-3-oxidanyl-2-[[(phenylmethyl)amino]methyl]propanoate Openeye Name: methyl 2-[(benzylamino)methyl]-3-(2-benzyloxy-5-chloro-phenyl)-3-hydroxy-propanoate CAS Name: 3-(5-chloro-2-phenylmethoxyphenyl)-3-hydroxy-2-[[(phenylmethyl)amino]methyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(benzylamino)methyl]-3-(5-chloro-2-phenylmethoxyphenyl)-3-hydroxypropanoate Traditional Name: 3-(2-benzoxy-5-chloro-phenyl)-2-[(benzylamino)methyl]-3-hydroxy-propionic acid methyl ester Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNCC1=CC=CC=C1)C(C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C(CNCC1=CC=CC=C1)C(C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H26ClNO4/c1-30-25(29)22(16-27-15-18-8-4-2-5-9-18)24(28)21-14-20(26)12-13-23(21)31-17-19-10-6-3-7-11-19/h2-14,22,24,27-28H,15-17H2,1H3