(phenylmethyl) 2-butyl-5-(4-oxidanylidenepentyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-butyl-5-(4-oxidanylidenepentyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 2-butyl-5-(4-oxopentyl)pyrrolidine-1-carboxylate CAS Name: 2-butyl-5-(4-oxopentyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-butyl-5-(4-oxopentyl)pyrrolidine-1-carboxylate Traditional Name: 2-butyl-5-(4-ketopentyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCC(=O)C

Isomeric SMILES

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCC(=O)C

InChI

InChI=1S/C21H31NO3/c1-3-4-12-19-14-15-20(13-8-9-17(2)23)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,19-20H,3-4,8-9,12-16H2,1-2H3