4-[[2,3-bis(oxidanylidene)-4-propan-2-yl-piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2,3-bis(oxidanylidene)-4-propan-2-yl-piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[(4-isopropyl-2,3-dioxo-piperazin-1-yl)methyl]benzoic acid CAS Name: 4-[(2,3-dioxo-4-propan-2-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-[(4-isopropyl-2,3-diketo-piperazino)methyl]benzoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(C(=O)C1=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)N1CCN(C(=O)C1=O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-10(2)17-8-7-16(13(18)14(17)19)9-11-3-5-12(6-4-11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H,20,21)