2,6-dimethyl-1-methylsulfonyl-4-phenyl-5-phenylmethoxycarbonyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-1-methylsulfonyl-4-phenyl-5-phenylmethoxycarbonyl-4H-pyridine-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-2,6-dimethyl-1-methylsulfonyl-4-phenyl-4H-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-1-methylsulfonyl-4-phenyl-5-phenylmethoxycarbonyl-4H-pyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-1-methylsulfonyl-4-phenyl-5-phenylmethoxycarbonyl-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbobenzoxy-1-mesyl-2,6-dimethyl-4-phenyl-4H-pyridine-3-carboxylic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1S(=O)(=O)C)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1S(=O)(=O)C)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-15-19(22(25)26)21(18-12-8-5-9-13-18)20(16(2)24(15)31(3,28)29)23(27)30-14-17-10-6-4-7-11-17/h4-13,21H,14H2,1-3H3,(H,25,26)