3-(3-carbamimidoylphenyl)-5-[2-[(1-ethanimidoylpiperidin-4-yl)methylamino]ethyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[2-[(1-ethanimidoylpiperidin-4-yl)methylamino]ethyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[2-[(1-ethanimidoyl-4-piperidyl)methylamino]ethyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[2-[[1-(1-iminoethyl)-4-piperidinyl]methylamino]ethyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[2-[(1-ethanimidoylpiperidin-4-yl)methylamino]ethyl]benzoic acid Traditional Name: 3-[2-[(1-acetimidoyl-4-piperidyl)methylamino]ethyl]-5-(3-amidinophenyl)benzoic acid Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CNCCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)CNCCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H31N5O2/c1-16(25)29-9-6-17(7-10-29)15-28-8-5-18-11-21(14-22(12-18)24(30)31)19-3-2-4-20(13-19)23(26)27/h2-4,11-14,17,25,28H,5-10,15H2,1H3,(H3,26,27)(H,30,31)