2-[3-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[3-benzyloxy-5-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]phenyl]acetic acid CAS Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]acetic acid Traditional Name: 2-[3-benzoxy-5-[2-keto-2-[methyl(phenethyl)amino]ethyl]phenyl]acetic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=CC(=C2)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=CC(=C2)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H27NO4/c1-27(13-12-20-8-4-2-5-9-20)25(28)17-22-14-23(18-26(29)30)16-24(15-22)31-19-21-10-6-3-7-11-21/h2-11,14-16H,12-13,17-19H2,1H3,(H,29,30)