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

Systemtic Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxy-benzoic acid Openeye Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-[(1-ethanimidoyl-4-piperidyl)oxy]benzoic acid CAS Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid IUPAC Name: 5-[[3-(3-carbamimidoylphenyl)phenyl]methylamino]-2-(1-ethanimidoylpiperidin-4-yl)oxybenzoic acid Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)oxy]-5-[[3-(3-amidinophenyl)benzyl]amino]benzoic acid Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H31N5O3/c1-18(29)33-12-10-24(11-13-33)36-26-9-8-23(16-25(26)28(34)35)32-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(30)31/h2-9,14-16,24,29,32H,10-13,17H2,1H3,(H3,30,31)(H,34,35)