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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-(methylcarbamoyl)phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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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)NC)C4=C(C=C(C=C4)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NC)C4=C(C=C(C=C4)C)C(=O)O

InChI

InChI=1S/C28H28N4O3/c1-4-32-15-20(21-10-8-18(26(29)30)14-25(21)32)12-17-6-7-19(27(33)31-3)13-23(17)22-9-5-16(2)11-24(22)28(34)35/h5-11,13-15H,4,12H2,1-3H3,(H3,29,30)(H,31,33)(H,34,35)