(phenylmethyl) 2-[(4-cyano-1-methoxy-2-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-cyano-1-methoxy-2-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(3-cyano-1-methoxycarbonyl-1-methyl-propyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(4-cyano-1-methoxy-2-methyl-1-oxobutan-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-cyano-1-methoxy-2-methyl-1-oxobutan-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(1-carbomethoxy-3-cyano-1-methyl-propyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(=O)OC)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(CCC#N)(C(=O)OC)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O5/c1-20(11-7-12-21,18(25)27-2)22-17(24)16-10-6-13-23(16)19(26)28-14-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-11,13-14H2,1-2H3,(H,22,24)