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

Systemtic Name: N-butyl-4-(5-methyl-2-propan-2-yl-phenoxy)but-2-yn-1-amine; ethanedioic acid Openeye Name: N-butyl-4-(2-isopropyl-5-methyl-phenoxy)but-2-yn-1-amine; oxalic acid CAS Name: N-butyl-4-(5-methyl-2-propan-2-ylphenoxy)-2-butyn-1-amine; oxalic acid IUPAC Name: N-butyl-4-(5-methyl-2-propan-2-ylphenoxy)but-2-yn-1-amine; oxalic acid Traditional Name: butyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]amine; oxalic acid Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC#CCOC1=C(C=CC(=C1)C)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCC#CCOC1=C(C=CC(=C1)C)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO.C2H2O4/c1-5-6-11-19-12-7-8-13-20-18-14-16(4)9-10-17(18)15(2)3;3-1(4)2(5)6/h9-10,14-15,19H,5-6,11-13H2,1-4H3;(H,3,4)(H,5,6)