ethanedioic acid; 1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone Openeye Name: oxalic acid; 1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone CAS Name: oxalic acid; 1-[4-[4-(1-pyrrolidinyl)butoxy]phenyl]ethanone IUPAC Name: oxalic acid; 1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone Traditional Name: oxalic acid; 1-[4-(4-pyrrolidinobutoxy)phenyl]ethanone Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCCN2CCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCCN2CCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c1-14(18)15-6-8-16(9-7-15)19-13-5-4-12-17-10-2-3-11-17;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)