(phenylmethyl) (2S,3S)-3-bromanyl-4-oxidanylidene-2-prop-2-enyl-2,3-dihydroquinoline-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-3-bromanyl-4-oxidanylidene-2-prop-2-enyl-2,3-dihydroquinoline-1-carboxylate Openeye Name: benzyl (2S,3S)-2-allyl-3-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: (2S,3S)-3-bromo-4-oxo-2-prop-2-enyl-2,3-dihydroquinoline-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-bromo-4-oxo-2-prop-2-enyl-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2S,3S)-2-allyl-3-bromo-4-keto-2,3-dihydroquinoline-1-carboxylic acid benzyl ester Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(C(=O)C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

C=CC[C@H]1[C@@H](C(=O)C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H18BrNO3/c1-2-8-17-18(21)19(23)15-11-6-7-12-16(15)22(17)20(24)25-13-14-9-4-3-5-10-14/h2-7,9-12,17-18H,1,8,13H2/t17-,18-/m0/s1