5-ethoxycarbonyl-2-methyl-4-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2-methyl-4-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-2-methyl-4-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-2-methyl-4-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-2-methyl-4-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-amyl-5-carbethoxy-2-methyl-6-phenyl-1,4-dihydropyridine-3-carboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C21H27NO4/c1-4-6-8-13-16-17(20(23)24)14(3)22-19(15-11-9-7-10-12-15)18(16)21(25)26-5-2/h7,9-12,16,22H,4-6,8,13H2,1-3H3,(H,23,24)