(2-phenylmethoxycarbonylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride

Systemtic Name: (2-phenylmethoxycarbonylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Openeye Name: (2-benzyloxycarbonylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid (2-phenylmethoxycarbonylphenyl) ester hydrochloride IUPAC Name: (2-phenylmethoxycarbonylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-amidinoisonipecotic acid (2-carbobenzoxyphenyl) ester hydrochloride Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C(=N)N.Cl

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C(=N)N.Cl

InChI

InChI=1S/C21H23N3O4.ClH/c22-21(23)24-12-10-16(11-13-24)19(25)28-18-9-5-4-8-17(18)20(26)27-14-15-6-2-1-3-7-15;/h1-9,16H,10-14H2,(H3,22,23);1H