(4-tert-butylphenyl) 1-carbamimidoylpiperidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-3-carboxylate CAS Name: 1-carbamimidoyl-3-piperidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-3-carboxylate Traditional Name: 1-amidinonipecotic acid (4-tert-butylphenyl) ester Formula: C17H25N3O2 MolecularWeight: 303.3993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)C(=N)N

InChI

InChI=1S/C17H25N3O2/c1-17(2,3)13-6-8-14(9-7-13)22-15(21)12-5-4-10-20(11-12)16(18)19/h6-9,12H,4-5,10-11H2,1-3H3,(H3,18,19)