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

Systemtic Name: 2-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]ethanoic acid Openeye Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]acetic acid CAS Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]acetic acid IUPAC Name: 2-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]acetic acid Traditional Name: 2-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]acetic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c23-17(14-26-18-4-2-1-3-5-18)12-22-13-19-8-7-16-10-15(11-21(24)25)6-9-20(16)27-19/h1-6,9-10,17,19,22-23H,7-8,11-14H2,(H,24,25)