(phenylmethyl) (2R)-2-butyl-5-[(E)-4-oxidanylhept-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-butyl-5-[(E)-4-oxidanylhept-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-butyl-5-[(E)-4-hydroxyhept-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-butyl-5-[(E)-4-hydroxyhept-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-butyl-5-[(E)-4-hydroxyhept-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-butyl-5-[(E)-4-hydroxyhept-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H35NO3 MolecularWeight: 373.5289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CC=CC(CCC)O

Isomeric SMILES

CCCC[C@@H]1CCC(N1C(=O)OCC2=CC=CC=C2)C/C=C/C(CCC)O

InChI

InChI=1S/C23H35NO3/c1-3-5-13-20-16-17-21(14-9-15-22(25)10-4-2)24(20)23(26)27-18-19-11-7-6-8-12-19/h6-9,11-12,15,20-22,25H,3-5,10,13-14,16-18H2,1-2H3/b15-9+/t20-,21?,22?/m1/s1