2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indazol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indazolyl)methyl]-5-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindazol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indazol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid Formula: C32H31N7O4 MolecularWeight: 577.63304

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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=NC=C(N=C4)C)C5=C(C=C(C=C5)OC)C(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=N)N)C(=N1)CC3=C(C=C(C=C3)C(=O)NCC4=NC=C(N=C4)C)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C32H31N7O4/c1-4-39-29-13-20(30(33)34)7-9-25(29)28(38-39)12-19-5-6-21(31(40)37-17-22-16-35-18(2)15-36-22)11-26(19)24-10-8-23(43-3)14-27(24)32(41)42/h5-11,13-16H,4,12,17H2,1-3H3,(H3,33,34)(H,37,40)(H,41,42)