3-(3-carbamimidoylphenyl)-5-[[[1-(3-oxidanylpropanimidoyl)piperidin-4-yl]methylamino]methyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(3-oxidanylpropanimidoyl)piperidin-4-yl]methylamino]methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(3-hydroxypropanimidoyl)-4-piperidyl]methylamino]methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(3-hydroxy-1-iminopropyl)-4-piperidinyl]methylamino]methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(3-hydroxypropanimidoyl)piperidin-4-yl]methylamino]methyl]benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[[[1-(3-hydroxypropanimidoyl)-4-piperidyl]methylamino]methyl]benzoic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)C(=N)CCO

Isomeric SMILES

C1CN(CCC1CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)C(=N)CCO

InChI

InChI=1S/C24H31N5O3/c25-22(6-9-30)29-7-4-16(5-8-29)14-28-15-17-10-20(13-21(11-17)24(31)32)18-2-1-3-19(12-18)23(26)27/h1-3,10-13,16,25,28,30H,4-9,14-15H2,(H3,26,27)(H,31,32)