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

Systemtic Name: ethyl (3S,4S)-2-cyano-5-oxidanylidene-3-phenyl-5-phenylazanyl-4-pyridin-1-ium-1-yl-pentanoate Openeye Name: ethyl (3S,4S)-5-anilino-2-cyano-5-oxo-3-phenyl-4-pyridin-1-ium-1-yl-pentanoate CAS Name: (3S,4S)-5-anilino-2-cyano-5-oxo-3-phenyl-4-(1-pyridin-1-iumyl)pentanoic acid ethyl ester IUPAC Name: ethyl (3S,4S)-5-anilino-2-cyano-5-oxo-3-phenyl-4-pyridin-1-ium-1-ylpentanoate Traditional Name: (3S,4S)-5-anilino-2-cyano-5-keto-3-phenyl-4-pyridin-1-ium-1-yl-valeric acid ethyl ester Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c1-2-31-25(30)21(18-26)22(19-12-6-3-7-13-19)23(28-16-10-5-11-17-28)24(29)27-20-14-8-4-9-15-20/h3-17,21-23H,2H2,1H3/p+1/t21?,22-,23+/m1/s1