ethyl 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-aminocarbonyl-2-oxidanylidene-1H-imidazol-3-ium-3-yl]indole-1-carboxylate

Systemtic Name: ethyl 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-aminocarbonyl-2-oxidanylidene-1H-imidazol-3-ium-3-yl]indole-1-carboxylate Openeye Name: ethyl 3-[3-[2-(3-acetoxypropyl)-1H-indol-3-yl]-5-carbamoyl-2-oxo-1H-imidazol-3-ium-3-yl]indole-1-carboxylate CAS Name: 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-carbamoyl-2-oxo-1H-imidazol-3-ium-3-yl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-carbamoyl-2-oxo-1H-imidazol-3-ium-3-yl]indole-1-carboxylate Traditional Name: 3-[1-[2-(3-acetoxypropyl)-1H-indol-3-yl]-4-carbamoyl-2-keto-4-imidazolin-1-ium-1-yl]indole-1-carboxylic acid ethyl ester Formula: C28H28N5O6+ MolecularWeight: 530.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C(=O)N)C4=C(NC5=CC=CC=C54)CCCOC(=O)C

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C(=O)N)C4=C(NC5=CC=CC=C54)CCCOC(=O)C

InChI

InChI=1S/C28H27N5O6/c1-3-38-28(37)32-15-24(19-10-5-7-13-23(19)32)33(16-22(26(29)35)31-27(33)36)25-18-9-4-6-11-20(18)30-21(25)12-8-14-39-17(2)34/h4-7,9-11,13,15-16,30H,3,8,12,14H2,1-2H3,(H2-,29,31,35,36)/p+1