4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxy-phenol; ethanedioic acid

Systemtic Name: 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[(indan-5-ylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[(indan-5-ylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2=CC3=C(CCC3)C=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2=CC3=C(CCC3)C=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO3.C2H2O4/c1-21-16-8-12(9-17(22-2)18(16)20)11-19-15-7-6-13-4-3-5-14(13)10-15;3-1(4)2(5)6/h6-10,19-20H,3-5,11H2,1-2H3;(H,3,4)(H,5,6)