ethanedioate; 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate

Systemtic Name: ethanedioate; 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate Openeye Name: 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate; oxalate CAS Name: 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate; oxalate IUPAC Name: 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate; oxalate Traditional Name: 1-ethylpyrrolidine; N-[2-(hexoxymethyl)phenyl]carbamate; oxalate Formula: C22H32N2O7-3 MolecularWeight: 436.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=CC=CC=C1NC(=O)[O-].[CH2]CN1CCCC1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCOCC1=CC=CC=C1NC(=O)[O-].[CH2]CN1CCCC1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H21NO3.C6H12N.C2H2O4/c1-2-3-4-7-10-18-11-12-8-5-6-9-13(12)15-14(16)17;1-2-7-5-3-4-6-7;3-1(4)2(5)6/h5-6,8-9,15H,2-4,7,10-11H2,1H3,(H,16,17);1-6H2;(H,3,4)(H,5,6)/p-3