ethanedioic acid; N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-cyclohexan-1-amine

Systemtic Name: ethanedioic acid; N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-cyclohexan-1-amine Openeye Name: N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-cyclohexanamine; oxalic acid CAS Name: N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylcyclohexan-1-amine; oxalic acid Traditional Name: 4-(2-methoxyphenoxy)but-2-ynyl-(2-methylcyclohexyl)amine; oxalic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC#CCOC2=CC=CC=C2OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC#CCOC2=CC=CC=C2OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NO2.C2H2O4/c1-15-9-3-4-10-16(15)19-13-7-8-14-21-18-12-6-5-11-17(18)20-2;3-1(4)2(5)6/h5-6,11-12,15-16,19H,3-4,9-10,13-14H2,1-2H3;(H,3,4)(H,5,6)