6-cyclopentyl-3-ethoxycarbonyl-2-methyl-4-(2-phenylethynyl)-5-(phenylmethyl)-2H-pyridine-5-carboxylate

Systemtic Name: 6-cyclopentyl-3-ethoxycarbonyl-2-methyl-4-(2-phenylethynyl)-5-(phenylmethyl)-2H-pyridine-5-carboxylate Openeye Name: 5-benzyl-6-cyclopentyl-3-ethoxycarbonyl-2-methyl-4-(2-phenylethynyl)-2H-pyridine-5-carboxylate CAS Name: 6-cyclopentyl-3-ethoxycarbonyl-2-methyl-4-(2-phenylethynyl)-5-(phenylmethyl)-2H-pyridine-5-carboxylate IUPAC Name: 5-benzyl-6-cyclopentyl-3-ethoxycarbonyl-2-methyl-4-(2-phenylethynyl)-2H-pyridine-5-carboxylate Traditional Name: 5-benzyl-3-carbethoxy-6-cyclopentyl-2-methyl-4-(2-phenylethynyl)-2H-pyridine-5-carboxylate Formula: C30H30NO4- MolecularWeight: 468.5635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=NC1C)C2CCCC2)(CC3=CC=CC=C3)C(=O)[O-])C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(C(=NC1C)C2CCCC2)(CC3=CC=CC=C3)C(=O)[O-])C#CC4=CC=CC=C4

InChI

InChI=1S/C30H31NO4/c1-3-35-28(32)26-21(2)31-27(24-16-10-11-17-24)30(29(33)34,20-23-14-8-5-9-15-23)25(26)19-18-22-12-6-4-7-13-22/h4-9,12-15,21,24H,3,10-11,16-17,20H2,1-2H3,(H,33,34)/p-1