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

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate Openeye Name: [2-[(2-benzyloxy-1-cyano-ethyl)amino]-1-(cyclopropylmethyl)-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [2-[(2-benzoxy-1-cyano-ethyl)amino]-1-(cyclopropylmethyl)-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCOCC3

Isomeric SMILES

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O5/c22-13-18(15-28-14-17-4-2-1-3-5-17)23-20(25)19(12-16-6-7-16)29-21(26)24-8-10-27-11-9-24/h1-5,16,18-19H,6-12,14-15H2,(H,23,25)