ethanedioic acid; 1-(4-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine Openeye Name: oxalic acid; N-[(2-prop-2-ynoxyphenyl)methyl]-1-(p-tolyl)methanamine CAS Name: 1-(4-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (4-methylbenzyl)-(2-propargyloxybenzyl)amine; oxalic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC=CC=C2OCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC=CC=C2OCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19NO.C2H2O4/c1-3-12-20-18-7-5-4-6-17(18)14-19-13-16-10-8-15(2)9-11-16;3-1(4)2(5)6/h1,4-11,19H,12-14H2,2H3;(H,3,4)(H,5,6)