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

Systemtic Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-methoxy-phenyl)-1H-indol-3-yl]ethanoate dihydrochloride Openeye Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-methoxy-phenyl)-1H-indol-3-yl]acetate dihydrochloride CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indol-3-yl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[6-carbamimidoyl-2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indol-3-yl]acetate dihydrochloride Traditional Name: 2-[6-amidino-2-(4-amidino-2-methoxy-phenyl)-1H-indol-3-yl]acetic acid ethyl ester dihydrochloride Formula: C21H25Cl2N5O3 MolecularWeight: 466.3609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=C(C=C(C=C3)C(=N)N)OC.Cl.Cl

Isomeric SMILES

CCOC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=C(C=C(C=C3)C(=N)N)OC.Cl.Cl

InChI

InChI=1S/C21H23N5O3.2ClH/c1-3-29-18(27)10-15-13-6-4-11(20(22)23)8-16(13)26-19(15)14-7-5-12(21(24)25)9-17(14)28-2;;/h4-9,26H,3,10H2,1-2H3,(H3,22,23)(H3,24,25);2*1H