3-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)CSCCC(=O)O

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)CSCCC(=O)O

InChI

InChI=1S/C21H25NO5S/c1-22(20(23)15-28-11-10-21(24)25)13-17-8-9-18(19(12-17)26-2)27-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-15H2,1-2H3,(H,24,25)