ethanedioic acid; 2-piperidin-1-ylethyl 2-cyclohexyl-1-benzofuran-7-carboxylate

Systemtic Name: ethanedioic acid; 2-piperidin-1-ylethyl 2-cyclohexyl-1-benzofuran-7-carboxylate Openeye Name: oxalic acid; 2-(1-piperidyl)ethyl 2-cyclohexylbenzofuran-7-carboxylate CAS Name: 2-cyclohexyl-7-benzofurancarboxylic acid 2-(1-piperidinyl)ethyl ester; oxalic acid IUPAC Name: oxalic acid; 2-piperidin-1-ylethyl 2-cyclohexyl-1-benzofuran-7-carboxylate Traditional Name: 2-cyclohexylbenzofuran-7-carboxylic acid 2-piperidinoethyl ester; oxalic acid Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(O2)C(=CC=C3)C(=O)OCCN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(O2)C(=CC=C3)C(=O)OCCN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29NO3.C2H2O4/c24-22(25-15-14-23-12-5-2-6-13-23)19-11-7-10-18-16-20(26-21(18)19)17-8-3-1-4-9-17;3-1(4)2(5)6/h7,10-11,16-17H,1-6,8-9,12-15H2;(H,3,4)(H,5,6)