tert-butyl 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoate

Systemtic Name: tert-butyl 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoate Openeye Name: tert-butyl 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]propanoate CAS Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoate Traditional Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]propionic acid tert-butyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC2=C(C=C1)OC(CC2)CNCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC2=C(C=C1)OC(CC2)CNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C26H35NO5/c1-26(2,3)32-25(29)14-10-19-9-13-24-20(15-19)11-12-23(31-24)17-27-16-21(28)18-30-22-7-5-4-6-8-22/h4-9,13,15,21,23,27-28H,10-12,14,16-18H2,1-3H3