[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-5-methyl-1-oxidanylidene-hexan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-5-methyl-1-oxidanylidene-hexan-2-yl] morpholine-4-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-4-methyl-pentyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-5-methyl-1-oxohexan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-5-methyl-1-oxohexan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-4-methyl-pentyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCOCC2

Isomeric SMILES

CC(C)CCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCOCC2

InChI

InChI=1S/C22H31N3O5/c1-17(2)8-9-20(30-22(27)25-10-12-28-13-11-25)21(26)24-19(14-23)16-29-15-18-6-4-3-5-7-18/h3-7,17,19-20H,8-13,15-16H2,1-2H3,(H,24,26)