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

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

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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)C(C)C)C(=O)O

Isomeric SMILES

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

InChI

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