5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-benzyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-benzyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-benzyl-2,6-dimethyl-5-(pivaloyloxymethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCOC(=O)C(C)(C)C)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCOC(=O)C(C)(C)C)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-13-17(19(24)25)16(11-15-9-7-6-8-10-15)18(14(2)23-13)20(26)28-12-29-21(27)22(3,4)5/h6-10,16,23H,11-12H2,1-5H3,(H,24,25)