methyl 3-[[butyl(piperidin-4-ylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[[butyl(piperidin-4-ylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[[butyl(4-piperidylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[butyl(4-piperidinylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[butyl(piperidin-4-ylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[butyl(4-piperidylmethyl)amino]methyl]benzoic acid methyl ester Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CCNCC1)CC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCCCN(CC1CCNCC1)CC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C26H36N4O2/c1-3-4-12-30(17-19-8-10-29-11-9-19)18-20-13-23(16-24(14-20)26(31)32-2)21-6-5-7-22(15-21)25(27)28/h5-7,13-16,19,29H,3-4,8-12,17-18H2,1-2H3,(H3,27,28)