2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-5-phenylmethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-5-phenylmethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-5-phenylmethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-5-phenylmethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbobenzoxy-2-cyclohexyl-6-methyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2CCCCC2)C(=O)O)C#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C2CCCCC2)C(=O)O)C#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29NO4/c1-20-25(29(33)34-19-22-13-7-3-8-14-22)24(18-17-21-11-5-2-6-12-21)26(28(31)32)27(30-20)23-15-9-4-10-16-23/h2-3,5-8,11-14,23-24,30H,4,9-10,15-16,19H2,1H3,(H,31,32)