(4-methylcyclohexyl) 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate

Systemtic Name: (4-methylcyclohexyl) 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Openeye Name: (4-methylcyclohexyl) 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-3-benzofurancarboxylic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylic acid (4-methylcyclohexyl) ester Formula: C37H38N2O6 MolecularWeight: 606.70742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)C2=C(OC3=C2C=C(C=C3C#CC4=CC=CC=C4)CC(C(=O)NCCO)NC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1CCC(CC1)OC(=O)C2=C(OC3=C2C=C(C=C3C#CC4=CC=CC=C4)C[C@@H](C(=O)NCCO)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C37H38N2O6/c1-24-13-17-30(18-14-24)44-37(43)33-31-22-27(23-32(39-25(2)41)36(42)38-19-20-40)21-29(16-15-26-9-5-3-6-10-26)34(31)45-35(33)28-11-7-4-8-12-28/h3-12,21-22,24,30,32,40H,13-14,17-20,23H2,1-2H3,(H,38,42)(H,39,41)/t24?,30?,32-/m0/s1