(E)-3-[3-(6-tert-butylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-[3-(6-tert-butylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid Openeye Name: (E)-3-[3-(6-tert-butyl-8-quinolyl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid CAS Name: (E)-3-[3-(6-tert-butyl-8-quinolinyl)phenyl]-2-(4-methylsulfonylphenyl)-2-propenoic acid IUPAC Name: (E)-3-[3-(6-tert-butylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[3-(6-tert-butyl-8-quinolyl)phenyl]-2-(4-mesylphenyl)acrylic acid Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C4=CC=C(C=C4)S(=O)(=O)C)/C(=O)O

InChI

InChI=1S/C29H27NO4S/c1-29(2,3)23-17-22-9-6-14-30-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(31)32)20-10-12-24(13-11-20)35(4,33)34/h5-18H,1-4H3,(H,31,32)/b26-16+