ethanedioic acid; N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine

Systemtic Name: ethanedioic acid; N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine Openeye Name: N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (3-ethoxy-4-propargyloxy-benzyl)-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)OC)OCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCC2=CC=C(C=C2)OC)OCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO3.C2H2O4/c1-4-14-25-20-11-8-18(15-21(20)24-5-2)16-22-13-12-17-6-9-19(23-3)10-7-17;3-1(4)2(5)6/h1,6-11,15,22H,5,12-14,16H2,2-3H3;(H,3,4)(H,5,6)