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

Systemtic Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenethyloxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-5-phenethyloxy-phenyl]acetic acid CAS Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenethyloxyphenyl]acetic acid IUPAC Name: 2-[3-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenethyloxyphenyl]acetic acid Traditional Name: 2-[3-[2-keto-2-[methyl(phenethyl)amino]ethyl]-5-phenethyloxy-phenyl]acetic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=CC(=C2)OCCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=CC(=C2)OCCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C27H29NO4/c1-28(14-12-21-8-4-2-5-9-21)26(29)19-23-16-24(20-27(30)31)18-25(17-23)32-15-13-22-10-6-3-7-11-22/h2-11,16-18H,12-15,19-20H2,1H3,(H,30,31)