ethanedioic acid; 2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine Openeye Name: 2-(2-isopropoxyphenoxy)-N-[[3-(3-thienyl)phenyl]methyl]ethanamine; oxalic acid CAS Name: oxalic acid; 2-(2-propan-2-yloxyphenoxy)-N-[[3-(3-thiophenyl)phenyl]methyl]ethanamine IUPAC Name: oxalic acid; 2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine Traditional Name: 2-(2-isopropoxyphenoxy)ethyl-[3-(3-thienyl)benzyl]amine; oxalic acid Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3=CSC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NO2S.C2H2O4/c1-17(2)25-22-9-4-3-8-21(22)24-12-11-23-15-18-6-5-7-19(14-18)20-10-13-26-16-20;3-1(4)2(5)6/h3-10,13-14,16-17,23H,11-12,15H2,1-2H3;(H,3,4)(H,5,6)