ethanedioic acid; (3-phenyl-3-pyridin-4-yl-propyl) carbamate

Systemtic Name: ethanedioic acid; (3-phenyl-3-pyridin-4-yl-propyl) carbamate Openeye Name: oxalic acid; [3-phenyl-3-(4-pyridyl)propyl] carbamate CAS Name: carbamic acid (3-phenyl-3-pyridin-4-ylpropyl) ester; oxalic acid IUPAC Name: oxalic acid; (3-phenyl-3-pyridin-4-ylpropyl) carbamate Traditional Name: carbamic acid [3-phenyl-3-(4-pyridyl)propyl] ester; oxalic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC(=O)N)C2=CC=NC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC(=O)N)C2=CC=NC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O2.C2H2O4/c16-15(18)19-11-8-14(12-4-2-1-3-5-12)13-6-9-17-10-7-13;3-1(4)2(5)6/h1-7,9-10,14H,8,11H2,(H2,16,18);(H,3,4)(H,5,6)