ethanedioic acid; 3,4,5-triphenyl-N-(2-pyrrolidin-1-ylethoxy)cyclohex-2-en-1-imine

Systemtic Name: ethanedioic acid; 3,4,5-triphenyl-N-(2-pyrrolidin-1-ylethoxy)cyclohex-2-en-1-imine Openeye Name: oxalic acid; 3,4,5-triphenyl-N-(2-pyrrolidin-1-ylethoxy)cyclohex-2-en-1-imine CAS Name: oxalic acid; 3,4,5-triphenyl-N-[2-(1-pyrrolidinyl)ethoxy]-1-cyclohex-2-enimine IUPAC Name: oxalic acid; 3,4,5-triphenyl-N-(2-pyrrolidin-1-ylethoxy)cyclohex-2-en-1-imine Traditional Name: oxalic acid; (Z)-2-pyrrolidinoethoxy-(3,4,5-triphenylcyclohex-2-en-1-ylidene)amine Formula: C32H34N2O5 MolecularWeight: 526.62276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCON=C2CC(C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCO/N=C\2/CC(C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H32N2O.C2H2O4/c1-4-12-24(13-5-1)28-22-27(31-33-21-20-32-18-10-11-19-32)23-29(25-14-6-2-7-15-25)30(28)26-16-8-3-9-17-26;3-1(4)2(5)6/h1-9,12-17,22,29-30H,10-11,18-21,23H2;(H,3,4)(H,5,6)/b31-27+;