ethanedioic acid; 4-(5-methyl-2-propan-2-yl-phenoxy)-N-(phenylmethyl)but-2-yn-1-amine

Systemtic Name: ethanedioic acid; 4-(5-methyl-2-propan-2-yl-phenoxy)-N-(phenylmethyl)but-2-yn-1-amine Openeye Name: N-benzyl-4-(2-isopropyl-5-methyl-phenoxy)but-2-yn-1-amine; oxalic acid CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)-N-(phenylmethyl)-2-butyn-1-amine; oxalic acid IUPAC Name: N-benzyl-4-(5-methyl-2-propan-2-ylphenoxy)but-2-yn-1-amine; oxalic acid Traditional Name: benzyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]amine; oxalic acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO.C2H2O4/c1-17(2)20-12-11-18(3)15-21(20)23-14-8-7-13-22-16-19-9-5-4-6-10-19;3-1(4)2(5)6/h4-6,9-12,15,17,22H,13-14,16H2,1-3H3;(H,3,4)(H,5,6)