(3S)-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[4-(2-chlorobenzyl)piperazino]-5-keto-3-methyl-valeric acid Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)CC(=O)O

InChI

InChI=1S/C17H23ClN2O3/c1-13(11-17(22)23)10-16(21)20-8-6-19(7-9-20)12-14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3,(H,22,23)/t13-/m0/s1