ethyl (3S,4S)-2-cyano-3-(2-fluorophenyl)-5-oxidanylidene-5-phenylazanyl-4-pyridin-1-ium-1-yl-pentanoate

Systemtic Name: ethyl (3S,4S)-2-cyano-3-(2-fluorophenyl)-5-oxidanylidene-5-phenylazanyl-4-pyridin-1-ium-1-yl-pentanoate Openeye Name: ethyl (3S,4S)-5-anilino-2-cyano-3-(2-fluorophenyl)-5-oxo-4-pyridin-1-ium-1-yl-pentanoate CAS Name: (3S,4S)-5-anilino-2-cyano-3-(2-fluorophenyl)-5-oxo-4-(1-pyridin-1-iumyl)pentanoic acid ethyl ester IUPAC Name: ethyl (3S,4S)-5-anilino-2-cyano-3-(2-fluorophenyl)-5-oxo-4-pyridin-1-ium-1-ylpentanoate Traditional Name: (3S,4S)-5-anilino-2-cyano-3-(2-fluorophenyl)-5-keto-4-pyridin-1-ium-1-yl-valeric acid ethyl ester Formula: C25H23FN3O3+ MolecularWeight: 432.466823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC=CC=C1F)C(C(=O)NC2=CC=CC=C2)[N+]3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C#N)[C@@H](C1=CC=CC=C1F)[C@@H](C(=O)NC2=CC=CC=C2)[N+]3=CC=CC=C3

InChI

InChI=1S/C25H22FN3O3/c1-2-32-25(31)20(17-27)22(19-13-7-8-14-21(19)26)23(29-15-9-4-10-16-29)24(30)28-18-11-5-3-6-12-18/h3-16,20,22-23H,2H2,1H3/p+1/t20?,22-,23+/m1/s1