methyl 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoate

Systemtic Name: methyl 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoate Openeye Name: methyl 2-[3-(6-isopropyl-8-quinolyl)phenyl]-3-(4-methylsulfonylphenyl)propanoate CAS Name: 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoate Traditional Name: 2-[3-(6-isopropyl-8-quinolyl)phenyl]-3-(4-mesylphenyl)propionic acid methyl ester Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(CC4=CC=C(C=C4)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(CC4=CC=C(C=C4)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C29H29NO4S/c1-19(2)24-17-23-9-6-14-30-28(23)26(18-24)21-7-5-8-22(16-21)27(29(31)34-3)15-20-10-12-25(13-11-20)35(4,32)33/h5-14,16-19,27H,15H2,1-4H3