2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(4-ethanoylphenyl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(4-ethanoylphenyl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[5-[(4-acetylphenyl)methylcarbamoyl]-2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[5-[[(4-acetylphenyl)methylamino]-oxomethyl]-2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[5-[(4-acetylphenyl)methylcarbamoyl]-2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[5-[(4-acetylbenzyl)carbamoyl]-2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C36H34N4O5 MolecularWeight: 602.67896

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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)NCC4=CC=C(C=C4)C(=O)C)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)NCC4=CC=C(C=C4)C(=O)C)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C36H34N4O5/c1-4-40-20-27(29-13-11-25(34(37)38)17-33(29)40)15-24-9-10-26(35(42)39-19-22-5-7-23(8-6-22)21(2)41)16-31(24)30-14-12-28(45-3)18-32(30)36(43)44/h5-14,16-18,20H,4,15,19H2,1-3H3,(H3,37,38)(H,39,42)(H,43,44)