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

Systemtic Name: 2,6-dimethyl-1-methylsulfonyl-5-phenylmethoxycarbonyl-4-propyl-4H-pyridine-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-2,6-dimethyl-1-methylsulfonyl-4-propyl-4H-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-1-methylsulfonyl-5-phenylmethoxycarbonyl-4-propyl-4H-pyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-1-methylsulfonyl-5-phenylmethoxycarbonyl-4-propyl-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbobenzoxy-1-mesyl-2,6-dimethyl-4-propyl-4H-pyridine-3-carboxylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(N(C(=C1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C)C)C(=O)O

Isomeric SMILES

CCCC1C(=C(N(C(=C1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C)C)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-5-9-16-17(19(22)23)13(2)21(28(4,25)26)14(3)18(16)20(24)27-12-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12H2,1-4H3,(H,22,23)