[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-(1-methylcyclohexyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-(1-methylcyclohexyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate Openeye Name: [2-[(2-benzyloxy-1-cyano-ethyl)amino]-1-[(1-methylcyclohexyl)methyl]-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [2-[(2-benzoxy-1-cyano-ethyl)amino]-2-keto-1-[(1-methylcyclohexyl)methyl]ethyl] ester Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCOCC3

Isomeric SMILES

CC1(CCCCC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCOCC3

InChI

InChI=1S/C25H35N3O5/c1-25(10-6-3-7-11-25)16-22(33-24(30)28-12-14-31-15-13-28)23(29)27-21(17-26)19-32-18-20-8-4-2-5-9-20/h2,4-5,8-9,21-22H,3,6-7,10-16,18-19H2,1H3,(H,27,29)