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

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pent-4-en-2-yl] morpholine-4-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-but-3-enyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopent-4-en-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopent-4-en-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-methyl-but-3-enyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-16(2)12-19(29-21(26)24-8-10-27-11-9-24)20(25)23-18(13-22)15-28-14-17-6-4-3-5-7-17/h3-7,18-19H,1,8-12,14-15H2,2H3,(H,23,25)