(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H22ClNO5/c1-14(15-5-3-2-4-6-15)24-10-16(9-20(24)25)22(26)28-12-18-8-19(23)7-17-11-27-13-29-21(17)18/h2-8,14,16H,9-13H2,1H3/t14-,16+/m1/s1