(3S)-3-(4-butoxyphenyl)-3-[(4-iodophenyl)amino]-1-(4-methylphenyl)propan-1-one

Systemtic Name: (3S)-3-(4-butoxyphenyl)-3-[(4-iodophenyl)amino]-1-(4-methylphenyl)propan-1-one Openeye Name: (3S)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(p-tolyl)propan-1-one CAS Name: (3S)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)-1-propanone IUPAC Name: (3S)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one Traditional Name: (3S)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(p-tolyl)propan-1-one Formula: C26H28INO2 MolecularWeight: 513.41049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)NC3=CC=C(C=C3)I

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)C)NC3=CC=C(C=C3)I

InChI

InChI=1S/C26H28INO2/c1-3-4-17-30-24-15-9-20(10-16-24)25(28-23-13-11-22(27)12-14-23)18-26(29)21-7-5-19(2)6-8-21/h5-16,25,28H,3-4,17-18H2,1-2H3/t25-/m0/s1