methyl 3-(3-carbamimidoylphenyl)-5-[[2-hydroxyethyl(piperidin-4-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[2-hydroxyethyl(piperidin-4-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[2-hydroxyethyl(4-piperidylmethyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[2-hydroxyethyl(4-piperidinylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[2-hydroxyethyl(piperidin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[2-hydroxyethyl(4-piperidylmethyl)amino]methyl]benzoic acid methyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CN(CCO)CC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CN(CCO)CC3CCNCC3

InChI

InChI=1S/C24H32N4O3/c1-31-24(30)22-12-18(16-28(9-10-29)15-17-5-7-27-8-6-17)11-21(14-22)19-3-2-4-20(13-19)23(25)26/h2-4,11-14,17,27,29H,5-10,15-16H2,1H3,(H3,25,26)