[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl] morpholine-4-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3,3-dimethyl-butyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3,3-dimethyl-butyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)13-19(30-21(27)25-9-11-28-12-10-25)20(26)24-18(14-23)16-29-15-17-7-5-4-6-8-17/h4-8,18-19H,9-13,15-16H2,1-3H3,(H,24,26)