ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: oxalic acid; [4-(4-phenylcyclohexyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazino]-(2-thienyl)methanone Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2OS.C2H2O4/c24-21(20-7-4-16-25-20)23-14-12-22(13-15-23)19-10-8-18(9-11-19)17-5-2-1-3-6-17;3-1(4)2(5)6/h1-7,16,18-19H,8-15H2;(H,3,4)(H,5,6)