methyl (2S)-2-benzamido-3-(1-cyano-4-oxidanylidene-quinolizin-3-yl)propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-(1-cyano-4-oxidanylidene-quinolizin-3-yl)propanoate Openeye Name: methyl (2S)-2-benzamido-3-(1-cyano-4-oxo-quinolizin-3-yl)propanoate CAS Name: (2S)-2-benzamido-3-(1-cyano-4-oxo-3-quinolizinyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-(1-cyano-4-oxoquinolizin-3-yl)propanoate Traditional Name: (2S)-2-benzamido-3-(1-cyano-4-keto-quinolizin-3-yl)propionic acid methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C2C=CC=CN2C1=O)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C2C=CC=CN2C1=O)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4/c1-28-21(27)17(23-19(25)14-7-3-2-4-8-14)12-15-11-16(13-22)18-9-5-6-10-24(18)20(15)26/h2-11,17H,12H2,1H3,(H,23,25)/t17-/m0/s1