ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-3-methyl-2-oxidanylidene-pentanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-3-methyl-2-oxidanylidene-pentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-3-methyl-2-oxo-pentanoyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3R)-3-methyl-1,2-dioxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-3-methyl-2-oxopentanoyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(3R)-2-keto-3-methyl-pentanoyl]isonipecotic acid ethyl ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@@H](C)C(=O)C(=O)N1CCC(CC1)(CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H28ClNO4/c1-4-15(3)18(24)19(25)23-12-10-21(11-13-23,20(26)27-5-2)14-16-6-8-17(22)9-7-16/h6-9,15H,4-5,10-14H2,1-3H3/t15-/m1/s1