methyl 2-acetamido-3-[3-[[4-(dimethylamino)cyclohexyl]carbonylamino]-2-(pyridin-2-ylcarbamoyl)-1-benzofuran-5-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[3-[[4-(dimethylamino)cyclohexyl]carbonylamino]-2-(pyridin-2-ylcarbamoyl)-1-benzofuran-5-yl]propanoate Openeye Name: methyl 2-acetamido-3-[3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-2-(2-pyridylcarbamoyl)benzofuran-5-yl]propanoate CAS Name: 2-acetamido-3-[3-[[[4-(dimethylamino)cyclohexyl]-oxomethyl]amino]-2-[oxo-(2-pyridinylamino)methyl]-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-2-(pyridin-2-ylcarbamoyl)-1-benzofuran-5-yl]propanoate Traditional Name: 2-acetamido-3-[3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-2-(2-pyridylcarbamoyl)benzofuran-5-yl]propionic acid methyl ester Formula: C29H35N5O6 MolecularWeight: 549.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC2=C(C=C1)OC(=C2NC(=O)C3CCC(CC3)N(C)C)C(=O)NC4=CC=CC=N4)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC2=C(C=C1)OC(=C2NC(=O)C3CCC(CC3)N(C)C)C(=O)NC4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C29H35N5O6/c1-17(35)31-22(29(38)39-4)16-18-8-13-23-21(15-18)25(26(40-23)28(37)32-24-7-5-6-14-30-24)33-27(36)19-9-11-20(12-10-19)34(2)3/h5-8,13-15,19-20,22H,9-12,16H2,1-4H3,(H,31,35)(H,33,36)(H,30,32,37)