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

Systemtic Name: (3S)-5-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[4-(4-acetylphenyl)-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[4-(4-acetylphenyl)piperazino]-5-keto-3-methyl-valeric acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C)CC(=O)O

InChI

InChI=1S/C18H24N2O4/c1-13(12-18(23)24)11-17(22)20-9-7-19(8-10-20)16-5-3-15(4-6-16)14(2)21/h3-6,13H,7-12H2,1-2H3,(H,23,24)/t13-/m0/s1