prop-2-enyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: allyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-iodophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid allyl ester Formula: C22H24INO3 MolecularWeight: 477.33533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC=C)C3=CC=C(C=C3)I)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC=C)C3=CC=C(C=C3)I)C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H24INO3/c1-5-10-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-6-8-15(23)9-7-14/h5-9,18-19H,1,10-12H2,2-4H3/t18?,19-/m1/s1