2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-diazinan-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-diazinan-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(hexahydropyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[(1,3-diazinan-2-ylmethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(1,3-diazinan-2-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(hexahydropyrimidin-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C32H36N6O4 MolecularWeight: 568.66604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4NCCCN4)C5=C(C=C(C=C5)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4NCCCN4)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C32H36N6O4/c1-3-38-18-22(24-9-7-20(30(33)34)15-28(24)38)13-19-5-6-21(31(39)37-17-29-35-11-4-12-36-29)14-26(19)25-10-8-23(42-2)16-27(25)32(40)41/h5-10,14-16,18,29,35-36H,3-4,11-13,17H2,1-2H3,(H3,33,34)(H,37,39)(H,40,41)