3-ethynyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Openeye Name: 3-ethynyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline CAS Name: 3-ethynyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline IUPAC Name: 3-ethynyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Traditional Name: (3-ethynylphenyl)-(2,4,5-trimethoxybenzyl)amine Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=CC=CC(=C2)C#C)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=CC=CC(=C2)C#C)OC)OC

InChI

InChI=1S/C18H19NO3/c1-5-13-7-6-8-15(9-13)19-12-14-10-17(21-3)18(22-4)11-16(14)20-2/h1,6-11,19H,12H2,2-4H3