ethanedioic acid; N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]pyridine-3-carboxamide

Systemtic Name: ethanedioic acid; N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]pyridine-3-carboxamide Openeye Name: oxalic acid; N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]pyridine-3-carboxamide CAS Name: oxalic acid; N-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-3-pyridinecarboxamide IUPAC Name: oxalic acid; N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]pyridine-3-carboxamide Traditional Name: oxalic acid; N-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]nicotinamide Formula: C38H43N3O38 MolecularWeight: 1149.74532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.9C2H2O4/c24-20(18-7-4-9-21-15-18)22-10-5-13-25-19-8-3-6-17(14-19)16-23-11-1-2-12-23;9*3-1(4)2(5)6/h3-4,6-9,14-15H,1-2,5,10-13,16H2,(H,22,24);9*(H,3,4)(H,5,6)