ethanedioic acid; N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-(oxolan-2-yl)methanamine

Systemtic Name: ethanedioic acid; N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-(oxolan-2-yl)methanamine Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-1-tetrahydrofuran-2-yl-methanamine; oxalic acid CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-oxolanyl)methanamine; oxalic acid IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine; oxalic acid Traditional Name: (4-benzoxy-3-methoxy-benzyl)-(tetrahydrofurfuryl)amine; oxalic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2CCCO2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2CCCO2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO3.C2H2O4/c1-22-20-12-17(13-21-14-18-8-5-11-23-18)9-10-19(20)24-15-16-6-3-2-4-7-16;3-1(4)2(5)6/h2-4,6-7,9-10,12,18,21H,5,8,11,13-15H2,1H3;(H,3,4)(H,5,6)