ethanedioic acid; [1-(phenylmethyl)-3-[2-(phenylmethyl)phenyl]pyrrolidin-3-yl] ethanoate

Systemtic Name: ethanedioic acid; [1-(phenylmethyl)-3-[2-(phenylmethyl)phenyl]pyrrolidin-3-yl] ethanoate Openeye Name: [1-benzyl-3-(2-benzylphenyl)pyrrolidin-3-yl] acetate; oxalic acid CAS Name: acetic acid [1-(phenylmethyl)-3-[2-(phenylmethyl)phenyl]-3-pyrrolidinyl] ester; oxalic acid IUPAC Name: [1-benzyl-3-(2-benzylphenyl)pyrrolidin-3-yl] acetate; oxalic acid Traditional Name: acetic acid [1-benzyl-3-(2-benzylphenyl)pyrrolidin-3-yl] ester; oxalic acid Formula: C28H29NO6 MolecularWeight: 475.53296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27NO2.C2H2O4/c1-21(28)29-26(16-17-27(20-26)19-23-12-6-3-7-13-23)25-15-9-8-14-24(25)18-22-10-4-2-5-11-22;3-1(4)2(5)6/h2-15H,16-20H2,1H3;(H,3,4)(H,5,6)