phenyl (1aS,2S,7bR)-7b-ethanoyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylate

Systemtic Name: phenyl (1aS,2S,7bR)-7b-ethanoyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylate Openeye Name: phenyl (1aS,2S,7bR)-7b-acetyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylate CAS Name: (1aS,2S,7bR)-7b-acetyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylic acid phenyl ester IUPAC Name: phenyl (1aS,2S,7bR)-7b-acetyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylate Traditional Name: (1aS,2S,7bR)-7b-acetyl-2-ethynyl-1a,2-dihydrooxireno[2,3-c]quinoline-3-carboxylic acid phenyl ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12C(O1)C(N(C3=CC=CC=C23)C(=O)OC4=CC=CC=C4)C#C

Isomeric SMILES

CC(=O)[C@@]12[C@@H](O1)[C@@H](N(C3=CC=CC=C23)C(=O)OC4=CC=CC=C4)C#C

InChI

InChI=1S/C20H15NO4/c1-3-16-18-20(25-18,13(2)22)15-11-7-8-12-17(15)21(16)19(23)24-14-9-5-4-6-10-14/h1,4-12,16,18H,2H3/t16-,18-,20+/m0/s1