2-[4-[(phenylmethyl)amino]cyclohexyl]propanedioate

Systemtic Name: 2-[4-[(phenylmethyl)amino]cyclohexyl]propanedioate Openeye Name: 2-[4-(benzylamino)cyclohexyl]propanedioate CAS Name: 2-[4-[(phenylmethyl)amino]cyclohexyl]propanedioate IUPAC Name: 2-[4-(benzylamino)cyclohexyl]propanedioate Traditional Name: 2-[4-(benzylamino)cyclohexyl]malonate Formula: C16H19NO4-2 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(C(=O)[O-])C(=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C1CC(CCC1C(C(=O)[O-])C(=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO4/c18-15(19)14(16(20)21)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2,(H,18,19)(H,20,21)/p-2