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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(piperidin-4-ylmethylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(4-piperidylmethylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[(4-piperidinylmethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(piperidin-4-ylmethylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(4-piperidylmethylamino)methyl]benzoic acid methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCNCC3

InChI

InChI=1S/C22H28N4O2/c1-28-22(27)20-10-16(14-26-13-15-5-7-25-8-6-15)9-19(12-20)17-3-2-4-18(11-17)21(23)24/h2-4,9-12,15,25-26H,5-8,13-14H2,1H3,(H3,23,24)