(phenylmethyl) 2-[(3,3-dimethylbutanoylamino)carbamoyl]-2-propyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(3,3-dimethylbutanoylamino)carbamoyl]-2-propyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(3,3-dimethylbutanoylamino)carbamoyl]-2-propyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(3,3-dimethyl-1-oxobutyl)hydrazo]-oxomethyl]-2-propyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3,3-dimethylbutanoylamino)carbamoyl]-2-propylpyrrolidine-1-carboxylate Traditional Name: 2-[(3,3-dimethylbutanoylamino)carbamoyl]-2-propyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)NNC(=O)CC(C)(C)C

Isomeric SMILES

CCCC1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)NNC(=O)CC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-5-12-22(19(27)24-23-18(26)15-21(2,3)4)13-9-14-25(22)20(28)29-16-17-10-7-6-8-11-17/h6-8,10-11H,5,9,12-16H2,1-4H3,(H,23,26)(H,24,27)