(2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate

Systemtic Name: (2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate Openeye Name: (2-allylphenyl) 1-carbamimidoylpiperidine-4-carboxylate CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid (2-prop-2-enylphenyl) ester IUPAC Name: (2-prop-2-enylphenyl) 1-carbamimidoylpiperidine-4-carboxylate Traditional Name: 1-amidinoisonipecotic acid (2-allylphenyl) ester Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=N)N

Isomeric SMILES

C=CCC1=CC=CC=C1OC(=O)C2CCN(CC2)C(=N)N

InChI

InChI=1S/C16H21N3O2/c1-2-5-12-6-3-4-7-14(12)21-15(20)13-8-10-19(11-9-13)16(17)18/h2-4,6-7,13H,1,5,8-11H2,(H3,17,18)