ethanedioic acid; 2-piperidin-1-ylethyl 2-(4-dimethylaminophenyl)-1-benzofuran-7-carboxylate

Systemtic Name: ethanedioic acid; 2-piperidin-1-ylethyl 2-(4-dimethylaminophenyl)-1-benzofuran-7-carboxylate Openeye Name: oxalic acid; 2-(1-piperidyl)ethyl 2-(4-dimethylaminophenyl)benzofuran-7-carboxylate CAS Name: 2-(4-dimethylaminophenyl)-7-benzofurancarboxylic acid 2-(1-piperidinyl)ethyl ester; oxalic acid IUPAC Name: oxalic acid; 2-piperidin-1-ylethyl 2-(4-dimethylaminophenyl)-1-benzofuran-7-carboxylate Traditional Name: 2-(4-dimethylaminophenyl)benzofuran-7-carboxylic acid 2-piperidinoethyl ester; oxalic acid Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC3=C(O2)C(=CC=C3)C(=O)OCCN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC3=C(O2)C(=CC=C3)C(=O)OCCN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O3.C2H2O4/c1-25(2)20-11-9-18(10-12-20)22-17-19-7-6-8-21(23(19)29-22)24(27)28-16-15-26-13-4-3-5-14-26;3-1(4)2(5)6/h6-12,17H,3-5,13-16H2,1-2H3;(H,3,4)(H,5,6)