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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methyl-ethanoyl-amino]methyl]benzoic acid Openeye Name: 3-[[acetyl-[(1-ethanimidoyl-4-piperidyl)methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[[acetyl-[[1-(1-iminoethyl)-4-piperidinyl]methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[[acetyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-[[(1-acetimidoyl-4-piperidyl)methyl-acetyl-amino]methyl]-5-(3-amidinophenyl)benzoic acid Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CN(CC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)C(=O)C

Isomeric SMILES

CC(=N)N1CCC(CC1)CN(CC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)C(=O)C

InChI

InChI=1S/C25H31N5O3/c1-16(26)29-8-6-18(7-9-29)14-30(17(2)31)15-19-10-22(13-23(11-19)25(32)33)20-4-3-5-21(12-20)24(27)28/h3-5,10-13,18,26H,6-9,14-15H2,1-2H3,(H3,27,28)(H,32,33)