(phenylmethyl) 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanoyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyano-3-[[2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-cyano-3-[[2-(cyclohexylmethyl)-4-keto-4-morpholino-butanoyl]amino]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC3(CCN(C3)C(=O)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC3(CCN(C3)C(=O)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H38N4O5/c29-20-28(11-12-32(21-28)27(35)37-19-23-9-5-2-6-10-23)30-26(34)24(17-22-7-3-1-4-8-22)18-25(33)31-13-15-36-16-14-31/h2,5-6,9-10,22,24H,1,3-4,7-8,11-19,21H2,(H,30,34)