(phenylmethyl) 4-(3-iodanylphenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-iodanylphenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-iodophenyl)-7-keto-2,5,5-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C26H26INO3 MolecularWeight: 527.39401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26INO3/c1-16-22(25(30)31-15-17-8-5-4-6-9-17)23(18-10-7-11-19(27)12-18)24-21(28-16)13-20(29)14-26(24,2)3/h4-12,23,28H,13-15H2,1-3H3