2-(3-azanyl-1-phenyl-propoxy)-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-(3-azanyl-1-phenyl-propoxy)-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-(3-amino-1-phenyl-propoxy)-4-chloro-benzonitrile; oxalic acid CAS Name: 2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-(3-amino-1-phenyl-propoxy)-4-chloro-benzonitrile; oxalic acid Formula: C18H17ClN2O5 MolecularWeight: 376.79098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClN2O.C2H2O4/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12;3-1(4)2(5)6/h1-7,10,15H,8-9,18H2;(H,3,4)(H,5,6)