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

Systemtic Name: ethyl 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-cyano-2-oxidanylidene-1H-imidazol-3-ium-3-yl]indole-1-carboxylate Openeye Name: ethyl 3-[3-[2-(3-acetoxypropyl)-1H-indol-3-yl]-5-cyano-2-oxo-1H-imidazol-3-ium-3-yl]indole-1-carboxylate CAS Name: 3-[3-[2-(3-acetyloxypropyl)-1H-indol-3-yl]-5-cyano-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-cyano-2-oxo-1H-imidazol-3-ium-3-yl]indole-1-carboxylate Traditional Name: 3-[1-[2-(3-acetoxypropyl)-1H-indol-3-yl]-4-cyano-2-keto-4-imidazolin-1-ium-1-yl]indole-1-carboxylic acid ethyl ester Formula: C28H26N5O5+ MolecularWeight: 512.53654

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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#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#N)C4=C(NC5=CC=CC=C54)CCCOC(=O)C

InChI

InChI=1S/C28H25N5O5/c1-3-37-28(36)32-16-25(21-10-5-7-13-24(21)32)33(17-19(15-29)30-27(33)35)26-20-9-4-6-11-22(20)31-23(26)12-8-14-38-18(2)34/h4-7,9-11,13,16-17,31H,3,8,12,14H2,1-2H3/p+1