2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-chloranyl-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-chloranyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-chloro-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indazolyl)methyl]-5-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-5-chlorobenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindazol-3-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-chlorobenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indazol-3-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-chloro-benzoic acid Formula: C31H27ClN6O3 MolecularWeight: 567.03748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=N)N)C(=N1)CC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)C5=C(C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=N)N)C(=N1)CC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)C5=C(C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C31H27ClN6O3/c1-2-38-28-14-20(29(33)34)7-9-24(28)27(37-38)13-19-5-6-21(30(39)36-17-18-4-3-11-35-16-18)12-25(19)23-10-8-22(32)15-26(23)31(40)41/h3-12,14-16H,2,13,17H2,1H3,(H3,33,34)(H,36,39)(H,40,41)