2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H27NO4/c1-9(8-17(4,5)6)7-12-13(15(19)20)10(2)18-11(3)14(12)16(21)22/h9,12,18H,7-8H2,1-6H3,(H,19,20)(H,21,22)