methyl 3-(3-carbamimidoylphenyl)-5-[(piperidin-4-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(piperidin-4-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(piperidine-4-carbonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[oxo(4-piperidinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(piperidine-4-carbonylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(isonipecotoylamino)methyl]benzoic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCNCC3

InChI

InChI=1S/C22H26N4O3/c1-29-22(28)19-10-14(13-26-21(27)15-5-7-25-8-6-15)9-18(12-19)16-3-2-4-17(11-16)20(23)24/h2-4,9-12,15,25H,5-8,13H2,1H3,(H3,23,24)(H,26,27)