methyl 3-(3-carbamimidoylphenyl)-5-[[[1-(2-oxidanylethanimidoyl)piperidin-4-yl]methylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[1-(2-oxidanylethanimidoyl)piperidin-4-yl]methylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[1-(2-hydroxyethanimidoyl)-4-piperidyl]methylamino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(2-hydroxy-1-iminoethyl)-4-piperidinyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[1-(2-hydroxyethanimidoyl)piperidin-4-yl]methylamino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[[1-(2-hydroxyacetimidoyl)-4-piperidyl]methylamino]methyl]benzoic acid methyl ester Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCN(CC3)C(=N)CO

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCN(CC3)C(=N)CO

InChI

InChI=1S/C24H31N5O3/c1-32-24(31)21-10-17(9-20(12-21)18-3-2-4-19(11-18)23(26)27)14-28-13-16-5-7-29(8-6-16)22(25)15-30/h2-4,9-12,16,25,28,30H,5-8,13-15H2,1H3,(H3,26,27)