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

Systemtic Name: methyl 4-[[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethyl-phenyl)-1H-indol-3-yl]methyl]benzoate Openeye Name: methyl 4-[[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethyl-phenyl)-1H-indol-3-yl]methyl]benzoate CAS Name: 4-[[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethylphenyl)-1H-indol-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-carbamimidoyl-2-(4-carbamimidoyl-2-ethylphenyl)-1H-indol-3-yl]methyl]benzoate Traditional Name: 4-[[6-amidino-2-(4-amidino-2-ethyl-phenyl)-1H-indol-3-yl]methyl]benzoic acid methyl ester Formula: C27H27N5O2 MolecularWeight: 453.53558

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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)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=N)N)C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H27N5O2/c1-3-16-13-18(25(28)29)8-10-20(16)24-22(12-15-4-6-17(7-5-15)27(33)34-2)21-11-9-19(26(30)31)14-23(21)32-24/h4-11,13-14,32H,3,12H2,1-2H3,(H3,28,29)(H3,30,31)