ethanedioic acid; N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine

Systemtic Name: ethanedioic acid; N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine Openeye Name: N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-1-(p-tolyl)methanamine; oxalic acid CAS Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid IUPAC Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid Traditional Name: (3-ethoxy-4-propargyloxy-benzyl)-(4-methylbenzyl)amine; oxalic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C)OCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C)OCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO2.C2H2O4/c1-4-12-23-19-11-10-18(13-20(19)22-5-2)15-21-14-17-8-6-16(3)7-9-17;3-1(4)2(5)6/h1,6-11,13,21H,5,12,14-15H2,2-3H3;(H,3,4)(H,5,6)