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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoyl-4-piperidyl)methylamino]methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(1-iminoethyl)-4-piperidinyl]methylamino]methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid Traditional Name: 3-[[(1-acetimidoyl-4-piperidyl)methylamino]methyl]-5-(3-amidinophenyl)benzoic acid Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C23H29N5O2/c1-15(24)28-7-5-16(6-8-28)13-27-14-17-9-20(12-21(10-17)23(29)30)18-3-2-4-19(11-18)22(25)26/h2-4,9-12,16,24,27H,5-8,13-14H2,1H3,(H3,25,26)(H,29,30)