4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-dimethoxy-phenol; ethanedioic acid

Systemtic Name: 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[(chroman-4-ylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[(3,4-dihydro-2H-1-benzopyran-4-ylamino)methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[(chroman-4-ylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C20H23NO8 MolecularWeight: 405.39852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2CCOC3=CC=CC=C23.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2CCOC3=CC=CC=C23.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO4.C2H2O4/c1-21-16-9-12(10-17(22-2)18(16)20)11-19-14-7-8-23-15-6-4-3-5-13(14)15;3-1(4)2(5)6/h3-6,9-10,14,19-20H,7-8,11H2,1-2H3;(H,3,4)(H,5,6)