[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] 5-(2-morpholinoethoxy)benzofuran-2-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethoxy]-2-benzofurancarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate Traditional Name: 5-(2-morpholinoethoxy)coumarilic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] ester Formula: C31H37N3O7 MolecularWeight: 563.64138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)C2=CC3=C(O2)C=CC(=C3)OCCN4CCOCC4

Isomeric SMILES

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)C2=CC3=C(O2)C=CC(=C3)OCCN4CCOCC4

InChI

InChI=1S/C31H37N3O7/c1-22(2)16-28(30(35)33-25(19-32)21-38-20-23-6-4-3-5-7-23)41-31(36)29-18-24-17-26(8-9-27(24)40-29)39-15-12-34-10-13-37-14-11-34/h3-9,17-18,22,25,28H,10-16,20-21H2,1-2H3,(H,33,35)