3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoic acid

Systemtic Name: 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoic acid Openeye Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]propanoic acid CAS Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]propanoic acid IUPAC Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoic acid Traditional Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]propionic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCC(=O)O)OC1CNCC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCC(=O)O)OC1CNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO5/c24-18(15-27-19-4-2-1-3-5-19)13-23-14-20-9-8-17-12-16(7-11-22(25)26)6-10-21(17)28-20/h1-6,10,12,18,20,23-24H,7-9,11,13-15H2,(H,25,26)