ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethyl-phenyl)-1H-indol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethyl-phenyl)-1H-indol-3-yl]ethanoate Openeye Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethyl-phenyl)-1H-indol-3-yl]acetate CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethylphenyl)-1H-indol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethylphenyl)-1H-indol-3-yl]acetate Traditional Name: 2-[6-amidino-2-(4-amidino-2-ethyl-phenyl)-1H-indol-3-yl]acetic acid ethyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=N)N)C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=N)N)C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCC

InChI

InChI=1S/C22H25N5O2/c1-3-12-9-13(21(23)24)5-7-15(12)20-17(11-19(28)29-4-2)16-8-6-14(22(25)26)10-18(16)27-20/h5-10,27H,3-4,11H2,1-2H3,(H3,23,24)(H3,25,26)